Geometry & MOs

Info

ID:	52077
PubChem CID:	12014860
Reduced:	SO2C18H18 (1)
Stoich.:	AB2C18D18 (1)
Weight, g/mol:	282.125594
ΔH_f, kcal/mol:	-16.03
Dipole, Da:	0.74
IP(EA), eV:	-9.03(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(furan-2-yl)-3-[(Z)-1H-isochromen-4-ylidenemethyl]but-3-en-1-ol

Drug info:

PubChemData

Smile

C=C(CC(C1=CC=CS1)O)/C=C/2\COCC3=CC=CC=C32

DOS

IR

Vibrations