Geometry & MOs

Info

ID:	427760
PubChem CID:	135162192
Reduced:	SO3N5C14H17 (1)
Stoich.:	AB3C5D14E17 (1)
Weight, g/mol:	322.117824
ΔH_f, kcal/mol:	-48.27
Dipole, Da:	10.26
IP(EA), eV:	-8.8(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(Z)-amino-(4-amino-2-oxopyridin-3-ylidene)methyl]amino]quinoline-2-carboxamide

Drug info:

PubChemData

Smile

CNCC1=C(C=CC(=C1)N/C(=C\2/C(=CC=NC2=O)N)/N)S(=O)O

DOS

IR

Vibrations