Geometry & MOs

Info

ID:	278143
PubChem CID:	103833695
Reduced:	NSO2C6H7 (2)
Stoich.:	ABC2D6E7 (2)
Weight, g/mol:	301.098394
ΔH_f, kcal/mol:	-106.54
Dipole, Da:	9.37
IP(EA), eV:	-10.14(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(1-methoxybutan-2-ylsulfamoyl)benzoate

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)S(=O)(=O)C2=CC=CC=C2C#N

DOS

IR

Vibrations