Geometry & MOs

Info

ID:	298250
PubChem CID:	117648133
Reduced:	O3C22H30 (1)
Stoich.:	A3B22C30 (1)
Weight, g/mol:	395.98196
ΔH_f, kcal/mol:	-140.77
Dipole, Da:	6.13
IP(EA), eV:	-9.73(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-2-dibenzothiophen-4-ylphenyl)-2-hydroxyethanone

Drug info:

PubChemData

Smile

CC12CCC(=O)C=C1CCC3C2C(=O)CC4(C3CCC4C(=C)CO)C

DOS

IR

Vibrations