Geometry & MOs

Info

ID:	370960
PubChem CID:	127341580
Reduced:	N2S2O4C11H22 (1)
Stoich.:	A2B2C4D11E22 (1)
Weight, g/mol:	328.055149
ΔH_f, kcal/mol:	-187.04
Dipole, Da:	1.9
IP(EA), eV:	-9.76(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1,1-dioxo-1,4-thiazepan-4-yl)sulfonylmethyl]benzonitrile

Drug info:

PubChemData

Smile

CC1CCCCN1S(=O)(=O)N2CCCS(=O)(=O)CC2

DOS

IR

Vibrations