Geometry & MOs

Info

ID:

436864

PubChem CID:

135212400

Reduced:

ClN4H29C45 (1)

Stoich.:

AB4C29D45 (1)

Weight, g/mol:

598.170701

ΔHf, kcal/mol:

209.54

Dipole, Da:

4.76

IP(EA), eV:

 -8.27(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S)-N-[(1S)-1-(2-chloro-1-methylcyclohexa-2,4-dien-1-yl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-3-(4-cyanopyridin-2-yl)-N-(3-fluorophenyl)-2-oxoimidazolidine-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)N3C4=C(C=C(C=C4)C5=CC6=C(C=C5)N7C(=CN=C7C8=CC=CC=C86)NC9=CC=CC=C9Cl)C1=CC=CC=C13

DOS

IR

Vibrations