Geometry & MOs

Info

ID:

340056

PubChem CID:

127262065

Reduced:

O3N4C11H18 (2)

Stoich.:

A3B4C11D18 (2)

Weight, g/mol:

479.260465

ΔHf, kcal/mol:

-176.1

Dipole, Da:

5.74

IP(EA), eV:

 -9.61(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2,6-diamino-N-[2-(N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-nitroanilino)-2-oxoethyl]hexanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations