Geometry & MOs

Info

ID:

188732

PubChem CID:

77760627

Reduced:

N4O6C31H32 (1)

Stoich.:

A4B6C31D32 (1)

Weight, g/mol:

557.259796

ΔHf, kcal/mol:

-175.98

Dipole, Da:

3.53

IP(EA), eV:

 -9.49(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[4-[3-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylamino)propyl]-2,5-dioxoimidazolidin-1-yl]-acetylamino]-2-(phenylmethoxycarbonylamino)propanoic acid

Drug info:

PubChemData

Smile

COC(=O)C(CN1C(=O)C2(CCN(CC2)C(=O)O)NC1=O)NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations