Geometry & MOs

Info

ID:	67784
PubChem CID:	46507163
Reduced:	NSO5H11C17 (1)
Stoich.:	ABC5D11E17 (1)
Weight, g/mol:	344.986257
ΔH_f, kcal/mol:	-103.47
Dipole, Da:	8.3
IP(EA), eV:	-9.88(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-chloro-2-oxochromen-3-yl)sulfonylbenzonitrile

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C=C(C(=O)O2)S(=O)(=O)C3=CC=CC(=C3)C#N

DOS

IR

Vibrations