Geometry & MOs

Info

ID:	373609
PubChem CID:	131317779
Reduced:	SN2O3C10H10 (1)
Stoich.:	AB2C3D10E10 (1)
Weight, g/mol:	231.970941
ΔH_f, kcal/mol:	-77.92
Dipole, Da:	3.54
IP(EA), eV:	-8.54(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyano-1-methyl-6-oxopyridine-3-sulfonyl chloride

Drug info:

PubChemData

Smile

CC1=NC=C(O1)C2=CC(=C(S2)C(=O)OC)N

DOS

IR

Vibrations