Geometry & MOs

Info

ID:

162126

PubChem CID:

57393692

Reduced:

F3O3H21C26 (1)

Stoich.:

A3B3C21D26 (1)

Weight, g/mol:

674.262816

ΔHf, kcal/mol:

-191.16

Dipole, Da:

7.53

IP(EA), eV:

 -9.12(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,6R,7S,17E,27S,28S)-7-benzamido-6-hydroxy-5-oxo-4,14,20-trioxa-1-azapentacyclo[23.3.1.13,28.08,13.021,26]triaconta-8,10,12,17,21,23,25-heptaen-27-yl] benzoate

Drug info:

PubChemData

Smile

CC#CC(CC(=O)O)C1=CC=C(C=C1)OCC2=CC(=CC=C2)C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations