Geometry & MOs

Info

ID:

220674

PubChem CID:

85202079

Reduced:

O2N3C16H23 (2)

Stoich.:

A2B3C16D23 (2)

Weight, g/mol:

619.229658

ΔHf, kcal/mol:

-171.56

Dipole, Da:

7.34

IP(EA), eV:

 -8.48(-0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[6-[(2-chlorophenyl)methoxycarbonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-4-oxo-4-phenylmethoxybutanoic acid

Drug info:

PubChemData

Smile

CCCC1=C(N=C(N1)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CC(C)C)NC(=O)N4CCCCCC4)C(=O)OCC

DOS

IR

Vibrations