Geometry & MOs

Info

ID:	7399
PubChem CID:	72435
Reduced:	O4C11H11 (2)
Stoich.:	A4B11C11 (2)
Weight, g/mol:	414.131468
ΔH_f, kcal/mol:	-256.34
Dipole, Da:	2.63
IP(EA), eV:	-8.64(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R,5aR,8aS,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)[C@H]2[C@H]3[C@H](COC3=O)[C@H](C4=CC5=C(C=C24)OCO5)O

DOS

IR

Vibrations