Geometry & MOs

Info

ID:	278320
PubChem CID:	103834808
Reduced:	FNS2O3C12H18 (1)
Stoich.:	ABC2D3E12F18 (1)
Weight, g/mol:	334.065714
ΔH_f, kcal/mol:	-162.96
Dipole, Da:	5.02
IP(EA), eV:	-8.85(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methyl-4-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)S(=O)(=O)NCCSCCCO

DOS

IR

Vibrations