Geometry & MOs

Info

ID:	85388
PubChem CID:	49874691
Reduced:	O4N5C14H19 (1)
Stoich.:	A4B5C14D19 (1)
Weight, g/mol:	284.050715
ΔH_f, kcal/mol:	-106.41
Dipole, Da:	3.8
IP(EA), eV:	-9.41(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-dioxo-4,5-diphenylthiophen-3-one

Drug info:

PubChemData

Smile

CCOC(=O)CN1C(=O)C2=C(N=C1N3CCOCC3)N(N=C2)C

DOS

IR

Vibrations