Geometry & MOs

Info

ID:	284941
PubChem CID:	104084606
Reduced:	ClSC13H19 (1)
Stoich.:	ABC13D19 (1)
Weight, g/mol:	222.008155
ΔH_f, kcal/mol:	-16.53
Dipole, Da:	3.23
IP(EA), eV:	-8.7(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(chloromethyl)-4-(2,2-difluoroethylsulfanyl)benzene

Drug info:

PubChemData

Smile

CCC(CC)CSC1=CC=C(C=C1)CCl

DOS

IR

Vibrations