Geometry & MOs

Info

ID:

340135

PubChem CID:

127262144

Reduced:

N7O7C32H43 (1)

Stoich.:

A7B7C32D43 (1)

Weight, g/mol:

453.201219

ΔHf, kcal/mol:

-212.73

Dipole, Da:

8.98

IP(EA), eV:

 -9.32(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-1-[(2S)-2-aminopropanoyl]-N-(4-nitrophenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N(C2=CC=C(C=C2)[N+](=O)[O-])[C@@H](CC3=CC=CC=C3)C(=O)N)N

DOS

IR

Vibrations