Geometry & MOs

Info

ID:	159923
PubChem CID:	57298688
Reduced:	OC6H8 (3)
Stoich.:	AB6C8 (3)
Weight, g/mol:	309.96631
ΔH_f, kcal/mol:	-94.16
Dipole, Da:	4.84
IP(EA), eV:	-8.96(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromophenyl)-2-methylsulfonylbenzene

Drug info:

PubChemData

Smile

C[C@]12CCC(=O)C=C1CC[C@@H]3[C@H]2CC[C@]4([C@H]3COC4=O)C

DOS

IR

Vibrations