Geometry & MOs

Info

ID:	278397
PubChem CID:	103835303
Reduced:	NSF2O3C12H17 (1)
Stoich.:	ABC2D3E12F17 (1)
Weight, g/mol:	316.109293
ΔH_f, kcal/mol:	-214.48
Dipole, Da:	6.05
IP(EA), eV:	-10.07(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-2-methylpentyl)-2-methyl-5-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations