Geometry & MOs

Info

ID:	8696
PubChem CID:	80409
Reduced:	ClSC7H7 (1)
Stoich.:	ABC7D7 (1)
Weight, g/mol:	157.995699
ΔH_f, kcal/mol:	9.75
Dipole, Da:	1.5
IP(EA), eV:	-9.12(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chlorophenyl)methanethiol

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CS)Cl

DOS

IR

Vibrations