Geometry & MOs

Info

ID:

378381

PubChem CID:

134224460

Reduced:

O2N7C31H41 (1)

Stoich.:

A2B7C31D41 (1)

Weight, g/mol:

787.477166

ΔHf, kcal/mol:

24.99

Dipole, Da:

3.79

IP(EA), eV:

 -8.0(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4-[[(6R,9S,14S,18R,19S,21R,25R,26R,27R,29R)-26-hydroxy-6,11,11,14,16,18,19,23,23,27-decamethyl-10,12,22,24-tetraoxaheptacyclo[19.7.1.02,19.05,18.06,15.09,14.025,29]nonacos-2-en-29-yl]methoxymethyl]triazol-1-yl]benzoic acid

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)NC1CCC(CC1)N2C(=NC)/C(=C(/N)\N=C)/C(=N2)C3=CC=C(C=C3)OC4=CC=CC=C4)NC

DOS

IR

Vibrations