Geometry & MOs

Info

ID:	199437
PubChem CID:	79246031
Reduced:	SN2O6C12H18 (1)
Stoich.:	AB2C6D12E18 (1)
Weight, g/mol:	324.059149
ΔH_f, kcal/mol:	-153.96
Dipole, Da:	9.61
IP(EA), eV:	-9.9(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-difluoro-N-(1-hydroxy-3-methylbutan-2-yl)-5-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)C(CO)NS(=O)(=O)C1=C(C=C(C=C1)OC)[N+](=O)[O-]

DOS

IR

Vibrations