Geometry & MOs

Info

ID:

2091

PubChem CID:

5770

Reduced:

N2O9C33H40 (1)

Stoich.:

A2B9C33D40 (1)

Weight, g/mol:

608.273381

ΔHf, kcal/mol:

-309.12

Dipole, Da:

3.58

IP(EA), eV:

 -7.94(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate

Drug info:

PubChemData

Smile

CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC

DOS

IR

Vibrations