Geometry & MOs

Info

ID:	278333
PubChem CID:	103834904
Reduced:	BrClNS2O4C12H17 (1)
Stoich.:	ABCD2E4F12G17 (1)
Weight, g/mol:	343.05237
ΔH_f, kcal/mol:	-148.19
Dipole, Da:	1.93
IP(EA), eV:	-8.92(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1Br)Cl)S(=O)(=O)NCCSCCCO

DOS

IR

Vibrations