Geometry & MOs

Info

ID:	57550
PubChem CID:	22405511
Reduced:	SiF3N4O5C27H39 (1)
Stoich.:	AB3C4D5E27F39 (1)
Weight, g/mol:	648.219569
ΔH_f, kcal/mol:	-379.98
Dipole, Da:	2.55
IP(EA), eV:	-8.96(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenylpyridin-3-yl]carbamoylamino]benzoate

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(C(C(F)(F)F)O[Si](C)(C)C(C)(C)C)NC(=O)CN1C=CC=C(C1=O)NC(=O)NOCC2=CC=CC=C2

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(C(C(F)(F)F)O[Si](C)(C)C(C)(C)C)NC(=O)CN1C=CC=C(C1=O)NC(=O)NOCC2=CC=CC=C2

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):