Geometry & MOs

Info

ID:

312394

PubChem CID:

126604608

Reduced:

O5N7C27H35 (1)

Stoich.:

A5B7C27D35 (1)

Weight, g/mol:

551.285617

ΔHf, kcal/mol:

-175.39

Dipole, Da:

9.61

IP(EA), eV:

 -9.02(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-6-[acetyl(pentan-2-yl)amino]-2-[[4-[(7-amino-5-oxo-6H-pyrido[3,4-b]pyrazin-3-yl)methylamino]benzoyl]amino]hexanoic acid

Drug info:

PubChemData

Smile

CCC[C@H](C)C(=O)NCCCC[C@@H](C(=O)O)NC(=O)C1=CC=C(C=C1)NCC2=CN=C3C=C(NC(=O)C3=N2)N

DOS

IR

Vibrations