Geometry & MOs

Info

ID:	388288
PubChem CID:	134988698
Reduced:	ClSC11H11 (1)
Stoich.:	ABC11D11 (1)
Weight, g/mol:	254.089599
ΔH_f, kcal/mol:	47.69
Dipole, Da:	1.77
IP(EA), eV:	-8.91(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-chloro-2-propylpent-1-enyl)sulfanylbenzene

Drug info:

PubChemData

Smile

C=C/C=C(\SCC1=CC=CC=C1)/Cl

DOS

IR

Vibrations