Geometry & MOs

Info

ID:	223380
PubChem CID:	85334940
Reduced:	OSN2H14C17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	296.104859
ΔH_f, kcal/mol:	51.84
Dipole, Da:	4.19
IP(EA), eV:	-9.45(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(furan-3-ylmethylidene)-6-methoxy-2-methylinden-1-yl]acetic acid

Drug info:

PubChemData

Smile

C1C(=NNC(=O)S1)C(=CC2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations