Geometry & MOs

Info

ID:	207110
PubChem CID:	80348015
Reduced:	SN3O3C10H13 (1)
Stoich.:	AB3C3D10E13 (1)
Weight, g/mol:	275.036462
ΔH_f, kcal/mol:	-89.03
Dipole, Da:	3.44
IP(EA), eV:	-9.31(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-carbamoylpyridin-2-yl)sulfanylpyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(CC(=O)OC)SC1=NN=C(C=C1)C(=O)N

DOS

IR

Vibrations