Geometry & MOs

Info

ID:	16764
PubChem CID:	476566
Reduced:	Cl2O7H18C27 (1)
Stoich.:	A2B7C18D27 (1)
Weight, g/mol:	524.042958
ΔH_f, kcal/mol:	-175.6
Dipole, Da:	0.99
IP(EA), eV:	-8.93(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3,4-dichlorophenyl)-4-oxochromen-3-yl] 3-(4-acetyloxy-3-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C=C(C=C1)C=CC(=O)OC2=C(OC3=CC=CC=C3C2=O)C4=CC(=C(C=C4)Cl)Cl)OC

DOS

IR

Vibrations