Geometry & MOs

Info

ID:

340133

PubChem CID:

127262142

Reduced:

NOC4H5 (6)

Stoich.:

ABC4D5 (6)

Weight, g/mol:

524.238333

ΔHf, kcal/mol:

-143.51

Dipole, Da:

7.61

IP(EA), eV:

 -9.74(-1.44)

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-[[(2S)-2-aminopropanoyl]amino]propanoyl]-N-(4-nitrophenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations