Geometry & MOs

Info

ID:	214873
PubChem CID:	85083780
Reduced:	SiO7C37H46 (1)
Stoich.:	AB7C37D46 (1)
Weight, g/mol:	630.323977
ΔH_f, kcal/mol:	-266.18
Dipole, Da:	5.33
IP(EA), eV:	-8.88(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-adamantyl N-[3-(1H-indol-3-yl)-2-methyl-1-[[2-(4-methylsulfanylbutanoylamino)-2-phenylethyl]amino]-1-oxopropan-2-yl]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(C(C(CO)O)OCC3=CC=C(C=C3)OC)OCC4=CC=C(C=C4)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(C(C(CO)O)OCC3=CC=C(C=C3)OC)OCC4=CC=C(C=C4)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):