Geometry & MOs

Info

ID:	251011
PubChem CID:	103100834
Reduced:	NCl2O2S2C10H15 (1)
Stoich.:	AB2C2D2E10F15 (1)
Weight, g/mol:	341.007776
ΔH_f, kcal/mol:	-84.8
Dipole, Da:	5.59
IP(EA), eV:	-9.47(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(chloromethyl)-1-(5-chloro-4-methylthiophen-2-yl)sulfonylazepane

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)S(=O)(=O)N(C)CCC(C)Cl)Cl

DOS

IR

Vibrations