Geometry & MOs

Info

ID:	169208
PubChem CID:	75075074
Reduced:	NOSC9H9 (2)
Stoich.:	ABCD9E9 (2)
Weight, g/mol:	332.089603
ΔH_f, kcal/mol:	33.08
Dipole, Da:	1.06
IP(EA), eV:	-8.86(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-formylfuran-2-yl)methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CON1C(C2(CN=C(S2)SC)C3=CC=CC=C31)OC4=CC=CC=C4

DOS

IR

Vibrations