Geometry & MOs

Info

ID:

417855

PubChem CID:

135102914

Reduced:

O3N5C23H27 (1)

Stoich.:

A3B5C23D27 (1)

Weight, g/mol:

758.355174

ΔHf, kcal/mol:

-40.76

Dipole, Da:

3.64

IP(EA), eV:

 -9.09(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,4R,7R,13R,19R,23S)-17-(3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carbonyl)-23-hydroxy-13-(1H-indol-3-ylmethyl)-4-(2-methylpropyl)-20-oxa-2,5,11,14,17-pentazatricyclo[17.3.1.07,11]tricosane-3,6,12,15-tetrone

Drug info:

PubChemData

Smile

C1C[C@H]2[C@H]3CN4C[C@H]3[C@@H]1N2C(=O)CC5=CC=C(C=C5)OCCN6C=C(CCC4=O)N=N6

DOS

IR

Vibrations