Geometry & MOs

Info

ID:	382861
PubChem CID:	134974257
Reduced:	NSO6C19H19 (1)
Stoich.:	ABC6D19E19 (1)
Weight, g/mol:	262.062994
ΔH_f, kcal/mol:	-213.78
Dipole, Da:	4.9
IP(EA), eV:	-9.73(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-benzylidenenaphthalene-1,2,4-trione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2[C@H](COC2=O)[C@H](C3=CC=CC=C3)OC(=O)C

DOS

IR

Vibrations