Geometry & MOs

Info

ID:	323528
PubChem CID:	126675236
Reduced:	NOC5H8 (2)
Stoich.:	ABC5D8 (2)
Weight, g/mol:	487.167811
ΔH_f, kcal/mol:	-62.9
Dipole, Da:	6.04
IP(EA), eV:	-9.31(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-N-cyclopropyl-3-N-methyl-1-[[1-(4-methylphenyl)sulfanylpyrrolo[3,2-c]pyridin-4-yl]methyl]-2-oxopyridine-3,5-dicarboxamide

Drug info:

PubChemData

Smile

CC(=C)/C=C(/C(=O)NC)\C(=O)N(C)C

DOS

IR

Vibrations