Geometry & MOs

Info

ID:	430305
PubChem CID:	135170369
Reduced:	NSO4H19C24 (1)
Stoich.:	ABC4D19E24 (1)
Weight, g/mol:	274.062994
ΔH_f, kcal/mol:	-57.35
Dipole, Da:	3.99
IP(EA), eV:	-8.62(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-5-ethynyl-2-[(3-hydroxyphenyl)methylidene]indene-1,3-dione

Drug info:

PubChemData

Smile

C/C(=C\C=C\1/C(=C)C2=C(C1=O)C(SC3=CC=CC=C3N2)C4=CC(=CC=C4)O)/C(=O)O

DOS

IR

Vibrations