Geometry & MOs

Info

ID:

340162

PubChem CID:

127262171

Reduced:

N3O3C13H13 (2)

Stoich.:

A3B3C13D13 (2)

Weight, g/mol:

430.258006

ΔHf, kcal/mol:

-106.29

Dipole, Da:

9.13

IP(EA), eV:

 -8.96(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-1-[(2S)-2-acetamido-4-methylpentanoyl]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-N-methylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@@H](C(=O)N)N(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CNC(=O)CNC(=O)C3=CC=CC=C3N

DOS

IR

Vibrations