Geometry & MOs

Info

ID:	278246
PubChem CID:	103834328
Reduced:	SN2O5C13H20 (1)
Stoich.:	AB2C5D13E20 (1)
Weight, g/mol:	320.084221
ΔH_f, kcal/mol:	-138.62
Dipole, Da:	2.66
IP(EA), eV:	-10.1(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-N-(2-hydroxy-4-methylpentyl)-4-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)NCC(CC(C)C)O)[N+](=O)[O-]

DOS

IR

Vibrations