Geometry & MOs

Info

ID:	278317
PubChem CID:	103834804
Reduced:	ClNS2O3C12H18 (1)
Stoich.:	ABC2D3E12F18 (1)
Weight, g/mol:	366.99115
ΔH_f, kcal/mol:	-125.01
Dipole, Da:	3.62
IP(EA), eV:	-8.84(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)S(=O)(=O)NCCSCCCO

DOS

IR

Vibrations