Geometry & MOs

Info

ID:	67783
PubChem CID:	46507159
Reduced:	ON5H11C14 (1)
Stoich.:	AB5C11D14 (1)
Weight, g/mol:	341.035794
ΔH_f, kcal/mol:	81.48
Dipole, Da:	1.94
IP(EA), eV:	-8.72(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(7-methoxy-2-oxochromen-3-yl)sulfonylbenzonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN3C=CN4C(=NNC4=O)C3=C2

DOS

IR

Vibrations