Geometry & MOs

Info

ID:

340074

PubChem CID:

127262083

Reduced:

O3N4C15H21 (2)

Stoich.:

A3B4C15D21 (2)

Weight, g/mol:

594.291431

ΔHf, kcal/mol:

-151.33

Dipole, Da:

11.3

IP(EA), eV:

 -9.22(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(2S)-2-benzamido-3-methylbutanoyl]-N-(4-nitrophenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations