Geometry & MOs

Info

ID:	168494
PubChem CID:	74977400
Reduced:	O3C13H14 (2)
Stoich.:	A3B13C14 (2)
Weight, g/mol:	624.147906
ΔH_f, kcal/mol:	-236.51
Dipole, Da:	2.61
IP(EA), eV:	-8.8(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1C(OC2=C(C1=O)C(=C3C=CC(OC3=C2C(CC(=O)OC)C4=CC=CC=C4)(C)C)O)C

DOS

IR

Vibrations