Geometry & MOs

Info

ID:

340025

PubChem CID:

127262034

Reduced:

N5O6C24H31 (1)

Stoich.:

A5B6C24D31 (1)

Weight, g/mol:

453.201219

ΔHf, kcal/mol:

-157.29

Dipole, Da:

10.31

IP(EA), eV:

 -9.27(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-1-[(2S)-2-amino-3-phenylpropanoyl]-N-(4-nitrophenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N)N(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC(C)C)N

DOS

IR

Vibrations