Geometry & MOs

Info

ID:	219544
PubChem CID:	85149164
Reduced:	PN2O7C30H35 (1)
Stoich.:	AB2C7D30E35 (1)
Weight, g/mol:	566.230453
ΔH_f, kcal/mol:	-302.52
Dipole, Da:	5.49
IP(EA), eV:	-9.45(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-hydroxy-8-[2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethyl]oxan-4-yl]-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one

Drug info:

PubChemData

Smile

CC(C)C(C(=O)O)NC(=O)C(CC1=CC=CC=C1)CP(=O)(C(CC2=CC=CC=C2)NC(=O)OC3=CC=CC=C3)O

DOS

IR

Vibrations