Geometry & MOs

Info

ID:	401889
PubChem CID:	135053222
Reduced:	ClNO3H10C15 (1)
Stoich.:	ABC3D10E15 (1)
Weight, g/mol:	392.10823
ΔH_f, kcal/mol:	8.97
Dipole, Da:	5.66
IP(EA), eV:	-9.49(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzenesulfonyl)-3-benzyl-6-methyl-2H-chromen-4-one

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2OC(=C1[N+](=O)[O-])C3=CC(=CC=C3)Cl

DOS

IR

Vibrations