Geometry & MOs

Info

ID:	82864
PubChem CID:	49856709
Reduced:	N5O5C32H33 (1)
Stoich.:	A5B5C32D33 (1)
Weight, g/mol:	640.173332
ΔH_f, kcal/mol:	-107.61
Dipole, Da:	8.54
IP(EA), eV:	-8.72(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-acetyloxy-2-(2,2-diphenyl-1,3-benzodioxol-5-yl)-4-oxo-7-phenylmethoxychromen-5-yl] acetate

Drug info:

PubChemData

Smile

C1CC(OC1)CNCCC(=O)NC2=C3C4=CC=CC=C4OC3=C(C=C2)C5=CC=CN6C5=NC(=CC6=O)N7CCOCC7

DOS

IR

Vibrations