Geometry & MOs

Info

ID:

214624

PubChem CID:

85083298

Reduced:

N2O6C33H40 (1)

Stoich.:

A2B6C33D40 (1)

Weight, g/mol:

560.321

ΔHf, kcal/mol:

-236.54

Dipole, Da:

1.86

IP(EA), eV:

 -9.35(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-methyl-2-[[4-methyl-2-[[3-methyl-2-[(1-phenylmethoxycarbonylpyrrolidine-2-carbonyl)amino]pentanoyl]amino]pentanoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)OCC1=CC=CC=C1)NC(CCN2C(=O)C3=C(C2=O)C=C4C=CCCC4=C3)C(=O)OC(C)(C)C

DOS

IR

Vibrations