Geometry & MOs

Info

ID:	82788
PubChem CID:	49856529
Reduced:	O9H20C21 (1)
Stoich.:	A9B20C21 (1)
Weight, g/mol:	592.136947
ΔH_f, kcal/mol:	-329.39
Dipole, Da:	4.53
IP(EA), eV:	-8.55(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,5-diacetyloxy-2-(2,2-diphenyl-1,3-benzodioxol-5-yl)-4-oxochromen-7-yl] acetate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OCOC1=CC(=C2C(=C1)OC(=C(C2=O)O)C3=CC(=C(C=C3)O)O)O

DOS

IR

Vibrations