Geometry & MOs

Info

ID:	324200
PubChem CID:	126677126
Reduced:	ClSO3H13C14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	252.01087
ΔH_f, kcal/mol:	-100.23
Dipole, Da:	7.06
IP(EA), eV:	-9.03(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-(4-chlorophenyl)-5-methylphenol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)C2=CC(=CC=C2)S(=O)(=O)C)O

DOS

IR

Vibrations