Geometry & MOs

Info

ID:

185324

PubChem CID:

77285627

Reduced:

N6O6C47H60 (1)

Stoich.:

A6B6C47D60 (1)

Weight, g/mol:

742.441784

ΔHf, kcal/mol:

-222.65

Dipole, Da:

4.28

IP(EA), eV:

 -9.09(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[[5-[[3,3-dimethyl-2-[3-[(6-methylpyridin-2-yl)methyl]-2-oxoimidazolidin-1-yl]butanoyl]amino]-3-hydroxy-1,6-diphenylhexan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-methylcarbamic acid

Drug info:

PubChemData

Smile

CC(C)(C)C(C(=O)NC(CC1=CC=CC=C1)CC(C(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)C(C(C)(C)C)N(C)C(=O)O)O)N4CCN(C4=O)CC5=CC=CC=C5

DOS

IR

Vibrations