Geometry & MOs

Info

ID:	215195
PubChem CID:	85084347
Reduced:	SiF3O7C42H49 (1)
Stoich.:	AB3C7D42E49 (1)
Weight, g/mol:	750.431613
ΔH_f, kcal/mol:	-404.97
Dipole, Da:	3.7
IP(EA), eV:	-8.68(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-cyclohexyl-2-[2-[[1-cyclopropyl-4-[[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-3,4-dioxobutan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCC(COCOCC3=CC=C(C=C3)OC)C(CC=C)OC(=O)C(C4=CC=CC=C4)(C(F)(F)F)OC

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCC(COCOCC3=CC=C(C=C3)OC)C(CC=C)OC(=O)C(C4=CC=CC=C4)(C(F)(F)F)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):