Geometry & MOs

Info

ID:	25323
PubChem CID:	622948
Reduced:	O3C7H8 (3)
Stoich.:	A3B7C8 (3)
Weight, g/mol:	288.118401
ΔH_f, kcal/mol:	-359.53
Dipole, Da:	7.67
IP(EA), eV:	-9.17(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dimethylphenyl)sulfonyl-1,3,5-trimethylbenzene

Drug info:

PubChemData

Smile

C1CC2=C(C=C(C=C2OC1C3=CC=C(C=C3)O)OC4C(C(C(C(O4)CO)O)O)O)O

DOS

IR

Vibrations