Geometry & MOs

Info

ID:	17184
PubChem CID:	487169
Reduced:	O8H18C19 (1)
Stoich.:	A8B18C19 (1)
Weight, g/mol:	374.100168
ΔH_f, kcal/mol:	-280.9
Dipole, Da:	4.25
IP(EA), eV:	-8.95(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R,6aR,12aR)-4,11,12a-trihydroxy-6,9-dimethoxy-10-methyl-6,6a-dihydrochromeno[3,4-b]chromen-12-one

Drug info:

PubChemData

Smile

CC1=C(C=C2C(=C1O)C(=O)[C@@]3([C@@H](O2)[C@@H](OC4=C3C=CC=C4O)OC)O)OC

DOS

IR

Vibrations