Geometry & MOs

Info

ID:	383482
PubChem CID:	134975225
Reduced:	BrO3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	491.101371
ΔH_f, kcal/mol:	-74.03
Dipole, Da:	3.96
IP(EA), eV:	-8.64(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-oxo-1,2-diphenylethylidene)-1,3-dithietan-2-ylidene]-N,2-diphenylacetamide

Drug info:

PubChemData

Smile

COC1=C(C(=C(C2=CC=CC=C21)OC)Br)CC(CC=C)O

DOS

IR

Vibrations