Geometry & MOs

Info

ID:

340055

PubChem CID:

127262064

Reduced:

O5N8C24H38 (1)

Stoich.:

A5B8C24D38 (1)

Weight, g/mol:

508.275781

ΔHf, kcal/mol:

-133.18

Dipole, Da:

8.12

IP(EA), eV:

 -9.32(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-amino-N-[(2S,3R)-1-(N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-nitroanilino)-3-hydroxy-1-oxobutan-2-yl]-4-methylpentanamide

Drug info:

PubChemData

Smile

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)[C@@H](CC2CCCCC2)N

DOS

IR

Vibrations