Geometry & MOs

Info

ID:	396267
PubChem CID:	135027890
Reduced:	O4H10C13 (2)
Stoich.:	A4B10C13 (2)
Weight, g/mol:	428.125988
ΔH_f, kcal/mol:	-215.13
Dipole, Da:	9.31
IP(EA), eV:	-9.03(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-methoxy-16-phenylmethoxy-5,7,21-trioxapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,14,16,18-heptaen-20-one

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=O)O[C@]23CC(C4=CC5=C(C=C4C3=O)OCO5)O)OCC6=CC=CC=C6

DOS

IR

Vibrations