Geometry & MOs

Info

ID:	278481
PubChem CID:	103836200
Reduced:	NSO5C9H19 (1)
Stoich.:	ABC5D9E19 (1)
Weight, g/mol:	315.114044
ΔH_f, kcal/mol:	-238.67
Dipole, Da:	5.92
IP(EA), eV:	-9.83(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(1-hydroxy-4-methylpentan-3-yl)sulfamoyl]benzoate

Drug info:

PubChemData

Smile

CC(C)C(CCO)NS(=O)(=O)CC(=O)OC

DOS

IR

Vibrations