Geometry & MOs

Info

ID:

187172

PubChem CID:

77539397

Reduced:

N3H10C11 (2)

Stoich.:

A3B10C11 (2)

Weight, g/mol:

851.458162

ΔHf, kcal/mol:

135.44

Dipole, Da:

8.6

IP(EA), eV:

 -8.94(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[2-[2-hydroxy-3-[[3-methyl-2-[3-[(6-methylpyridin-2-yl)methyl]-2-oxoimidazolidin-1-yl]pentanoyl]amino]-4-phenylbutyl]-2-[[3-(4-methoxyphenoxy)phenyl]methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1)NC2=NC=C(C(=N2)C3=CN=C4N3C=CC=C4C)C#N

DOS

IR

Vibrations