Geometry & MOs

Info

ID:	44209
PubChem CID:	10502027
Reduced:	O2N8H20C21 (1)
Stoich.:	A2B8C20D21 (1)
Weight, g/mol:	416.071845
ΔH_f, kcal/mol:	156.46
Dipole, Da:	4.79
IP(EA), eV:	-8.84(-2.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(E)-2-(benzenesulfonyl)-3-oxo-3-phenylprop-1-enyl]chromen-4-one

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=C(C3=NC4=CC=CC=C4N=C3N=N2)NNC5=CC=C(C=C5)[N+](=O)[O-]

DOS

IR

Vibrations