Geometry & MOs

Info

ID:	408335
PubChem CID:	135081101
Reduced:	NSO2C12H19 (1)
Stoich.:	ABC2D12E19 (1)
Weight, g/mol:	325.88381
ΔH_f, kcal/mol:	-80.03
Dipole, Da:	5.19
IP(EA), eV:	-10.42(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1Z)-1,2,3,4,4-pentachlorobuta-1,3-dienyl]sulfanylcyclopentane

Drug info:

PubChemData

Smile

C[C@H](CS(=O)(=O)C1=CC=CC=N1)C(C)(C)C

DOS

IR

Vibrations