Geometry & MOs

Info

ID:

340069

PubChem CID:

127262078

Reduced:

O7N11C32H55 (1)

Stoich.:

A7B11C32D55 (1)

Weight, g/mol:

705.428593

ΔHf, kcal/mol:

-250.37

Dipole, Da:

11.33

IP(EA), eV:

 -9.2(-1.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-6-amino-N-[(2S)-6-amino-1-(N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-nitroanilino)-1-oxohexan-2-yl]hexanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations