Geometry & MOs

Info

ID:	278318
PubChem CID:	103834806
Reduced:	BrNS2O3C12H18 (1)
Stoich.:	ABC2D3E12F18 (1)
Weight, g/mol:	311.046142
ΔH_f, kcal/mol:	-114.23
Dipole, Da:	5.06
IP(EA), eV:	-8.86(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-difluoro-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzenesulfonamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations