Geometry & MOs

Info

ID:

340111

PubChem CID:

127262120

Reduced:

O5N6C23H38 (1)

Stoich.:

A5B6C23D38 (1)

Weight, g/mol:

563.270361

ΔHf, kcal/mol:

-163.51

Dipole, Da:

8.47

IP(EA), eV:

 -9.44(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-1-[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]-3-hydroxypropanoyl]-N-[(2S)-1,6-diamino-1-oxohexan-2-yl]-N-(4-nitrophenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations