Geometry & MOs

Info

ID:	278307
PubChem CID:	103834751
Reduced:	NS2O3C14H21 (1)
Stoich.:	AB2C3D14E21 (1)
Weight, g/mol:	432.88396
ΔH_f, kcal/mol:	-117.8
Dipole, Da:	5.78
IP(EA), eV:	-8.7(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dibromo-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)NCCSCCCO

DOS

IR

Vibrations