Geometry & MOs

Info

ID:

340077

PubChem CID:

127262086

Reduced:

O5N8C23H38 (1)

Stoich.:

A5B8C23D38 (1)

Weight, g/mol:

502.217597

ΔHf, kcal/mol:

-133.21

Dipole, Da:

9.34

IP(EA), eV:

 -9.54(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[2-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-(4-methyl-2-oxochromen-7-yl)amino]-2-oxoethyl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(C)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](C(C)C)N

DOS

IR

Vibrations