Geometry & MOs

Info

ID:	381899
PubChem CID:	134972761
Reduced:	ClNO5C20H20 (1)
Stoich.:	ABC5D20E20 (1)
Weight, g/mol:	480.00699
ΔH_f, kcal/mol:	-107.56
Dipole, Da:	7.26
IP(EA), eV:	-10.04(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-4-hydroxy-3-(2-iodo-4,5-dimethoxyphenyl)-5-[(4-methoxyphenyl)methylidene]furan-2-one

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H]1OC(=O)[C@](O1)(CC2=C(C(=CC=C2)Cl)[N+](=O)[O-])C3=CC=CC=C3

DOS

IR

Vibrations