Geometry & MOs

Info

ID:

340112

PubChem CID:

127262121

Reduced:

N7O8C25H37 (1)

Stoich.:

A7B8C25D37 (1)

Weight, g/mol:

515.310769

ΔHf, kcal/mol:

-267.62

Dipole, Da:

2.68

IP(EA), eV:

 -9.55(-1.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-6-amino-2-[[(2S)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoyl]-[(2-oxochromen-4-yl)methyl]amino]hexanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N(C2=CC=C(C=C2)[N+](=O)[O-])[C@@H](CCCCN)C(=O)N)NC(=O)C

DOS

IR

Vibrations