Geometry & MOs

Info

ID:	324199
PubChem CID:	126677121
Reduced:	SN3O3C15H23 (1)
Stoich.:	AB3C3D15E23 (1)
Weight, g/mol:	296.027393
ΔH_f, kcal/mol:	-79.86
Dipole, Da:	6.4
IP(EA), eV:	-8.91(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-methyl-2-(3-methylsulfonylphenyl)phenol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C)C)OCC2=NNC(N2C)S(=O)(=O)C

DOS

IR

Vibrations