Geometry & MOs

Info

ID:	120670
PubChem CID:	50739942
Reduced:	O2S2N5H11C18 (1)
Stoich.:	A2B2C5D11E18 (1)
Weight, g/mol:	215.069477
ΔH_f, kcal/mol:	84.0
Dipole, Da:	6.9
IP(EA), eV:	-8.8(-2.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-oxido-N-pyridin-3-ylpyridin-1-ium-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=CC(=N2)/C=C\3/C(=O)N(C(=S)S3)NC(=O)C4=CC=NC=C4

DOS

IR

Vibrations