Geometry & MOs

Info

ID:	278572
PubChem CID:	103836567
Reduced:	FNSO3C12H18 (1)
Stoich.:	ABCD3E12F18 (1)
Weight, g/mol:	302.093643
ΔH_f, kcal/mol:	-165.82
Dipole, Da:	5.38
IP(EA), eV:	-10.06(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-2,2-dimethylbutyl)-2-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)(CCO)CNS(=O)(=O)C1=CC=CC(=C1)F

DOS

IR

Vibrations