Geometry & MOs

Info

ID:

47313

PubChem CID:

10531448

Reduced:

O2N3H16C17 (2)

Stoich.:

A2B3C16D17 (2)

Weight, g/mol:

582.312744

ΔHf, kcal/mol:

-18.36

Dipole, Da:

5.96

IP(EA), eV:

 -8.94(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[4-[[2-cyclohexylethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)N(C1=CC=C(C=C1)OC)C(=O)CN2C3=CC=CC=C3N(C(=O)C(C2=O)CC4=C5C(=NN4)C=CC=N5)C6=CC=CC=C6

DOS

IR

Vibrations