Geometry & MOs

Info

ID:	312393
PubChem CID:	126604598
Reduced:	O5N6C23H30 (1)
Stoich.:	A5B6C23D30 (1)
Weight, g/mol:	537.269967
ΔH_f, kcal/mol:	-141.04
Dipole, Da:	13.93
IP(EA), eV:	-8.54(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)CCC(C(=O)O)NC(=O)C1=CC=C(C=C1)NC/C(=C/N=C(C(=C)C(=O)NC)N=CN)/C

DOS

IR

Vibrations