Geometry & MOs

Info

ID:	5622
PubChem CID:	13407
Reduced:	SC9H12 (1)
Stoich.:	AB9C12 (1)
Weight, g/mol:	152.065972
ΔH_f, kcal/mol:	11.22
Dipole, Da:	1.83
IP(EA), eV:	-8.57(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propylsulfanylbenzene

Drug info:

PubChemData

Smile

CCCSC1=CC=CC=C1

DOS

IR

Vibrations