Geometry & MOs

Info

ID:

396425

PubChem CID:

135028402

Reduced:

O9C26H30 (1)

Stoich.:

A9B26C30 (1)

Weight, g/mol:

488.204633

ΔHf, kcal/mol:

-304.4

Dipole, Da:

3.21

IP(EA), eV:

 -8.52(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (6R,7R)-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole-6-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@@H](CC=O)C(C1=CC(=C(C(=C1)OC)OC)OC)C2=CC3=C(C=C2C=O)OCO3

DOS

IR

Vibrations