Geometry & MOs

Info

ID:

317214

PubChem CID:

126633380

Reduced:

O2C19H20 (1)

Stoich.:

A2B19C20 (1)

Weight, g/mol:

601.372701

ΔHf, kcal/mol:

2.33

Dipole, Da:

4.27

IP(EA), eV:

 -9.95(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-[2-(dimethylamino)ethylamino]-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20-dioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] acetate

Drug info:

PubChemData

Smile

C=CCC(=C)C1=C(C=C(C=C1)C(=O)CC=C)C(=O)CC=C

DOS

IR

Vibrations