Geometry & MOs

Info

ID:	199069
PubChem CID:	79194170
Reduced:	SN2O5H8C9 (1)
Stoich.:	AB2C5D8E9 (1)
Weight, g/mol:	282.031043
ΔH_f, kcal/mol:	-136.04
Dipole, Da:	6.28
IP(EA), eV:	-10.54(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(cyanosulfamoyl)-4-methoxyphenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC#N

DOS

IR

Vibrations