Geometry & MOs

Info

ID:	67785
PubChem CID:	46507164
Reduced:	ClNSO4H8C16 (1)
Stoich.:	ABCD4E8F16 (1)
Weight, g/mol:	388.93574
ΔH_f, kcal/mol:	-65.23
Dipole, Da:	7.23
IP(EA), eV:	-9.97(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)S(=O)(=O)C2=CC3=C(C=CC(=C3)Cl)OC2=O)C#N

DOS

IR

Vibrations