Geometry & MOs

Info

ID:

340076

PubChem CID:

127262085

Reduced:

O5N7C24H31 (1)

Stoich.:

A5B7C24D31 (1)

Weight, g/mol:

506.296516

ΔHf, kcal/mol:

-80.84

Dipole, Da:

10.4

IP(EA), eV:

 -9.65(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-methyl-N-(4-nitrophenyl)pentanamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](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