Geometry & MOs

Info

ID:

2782

PubChem CID:

8550

Reduced:

NO4C16H19 (2)

Stoich.:

AB4C16D19 (2)

Weight, g/mol:

578.262816

ΔHf, kcal/mol:

-267.12

Dipole, Da:

3.01

IP(EA), eV:

 -8.2(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (1R,15S,17R,18R,19S,20S)-18-methoxy-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=CC=CC=C45)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC

DOS

IR

Vibrations