Geometry & MOs

Info

ID:	319394
PubChem CID:	126655858
Reduced:	ClOH7C8 (2)
Stoich.:	ABC7D8 (2)
Weight, g/mol:	318.128966
ΔH_f, kcal/mol:	-41.12
Dipole, Da:	6.56
IP(EA), eV:	-9.56(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-tert-butyl-5-(2-methylphenyl)phenyl] methanesulfonate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=O)C(=O)C(=C1)C2=C(C=CC=C2Cl)Cl

DOS

IR

Vibrations