Geometry & MOs

Info

ID:	199068
PubChem CID:	79193847
Reduced:	ON3C10H15 (1)
Stoich.:	AB3C10D15 (1)
Weight, g/mol:	256.015393
ΔH_f, kcal/mol:	-21.53
Dipole, Da:	7.94
IP(EA), eV:	-10.06(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(cyanosulfamoyl)-4-methoxybenzoic acid

Drug info:

PubChemData

Smile

C1CCC2C(C1)CC(N2)C(=O)NC#N

DOS

IR

Vibrations