Geometry & MOs

Info

ID:

45058

PubChem CID:

10507608

Reduced:

N4O6C33H40 (1)

Stoich.:

A4B6C33D40 (1)

Weight, g/mol:

588.269165

ΔHf, kcal/mol:

-195.77

Dipole, Da:

10.56

IP(EA), eV:

 -9.06(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[4-[[[(2S)-1-cyclohexyl-3-ethylsulfanylpropan-2-yl]amino]methyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfonylbutanoic acid

Drug info:

PubChemData

Smile

CCCC(C)CCN(C1=CC=CC=C1OCC(=O)N(C)C2=CC=CC=C2)C(=O)CNC(=O)NC3=CC=CC(=C3)CC(=O)O

DOS

IR

Vibrations