Geometry & MOs

Info

ID:

435418

PubChem CID:

135191406

Reduced:

O3C23H24 (1)

Stoich.:

A3B23C24 (1)

Weight, g/mol:

495.264568

ΔHf, kcal/mol:

-59.29

Dipole, Da:

3.32

IP(EA), eV:

 -8.27(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(Z)-[(4E,6E,8E)-6-fluoro-4-methyl-2-oxo-1H-azonin-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](C[C@@H](O1)C2=C(C=CC(=C2)CC3=CC4=CC=CC=CC4=C3)O)O

DOS

IR

Vibrations