Geometry & MOs

Info

ID:	146981
PubChem CID:	53776909
Reduced:	SO3C7H10 (1)
Stoich.:	AB3C7D10 (1)
Weight, g/mol:	611.94286
ΔH_f, kcal/mol:	-129.44
Dipole, Da:	2.66
IP(EA), eV:	-9.14(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-bromo-2-(4-bromo-2-phenacylphenyl)sulfonylphenyl]-1-phenylethanone

Drug info:

PubChemData

Smile

CC1=CC(C(S1)C(=O)OC)O

DOS

IR

Vibrations