Geometry & MOs

Info

ID:	387615
PubChem CID:	134986169
Reduced:	OS2C9H14 (1)
Stoich.:	AB2C9D14 (1)
Weight, g/mol:	254.079908
ΔH_f, kcal/mol:	-42.28
Dipole, Da:	4.14
IP(EA), eV:	-9.07(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-2-methylsulfanyl-2-methylsulfinylethenyl]-2-propan-2-ylbenzene

Drug info:

PubChemData

Smile

CCCC(=S)C1CC(SC1=O)C

DOS

IR

Vibrations