Geometry & MOs

Info

ID:

441089

PubChem CID:

135233040

Reduced:

OSN7C23H23 (1)

Stoich.:

ABC7D23E23 (1)

Weight, g/mol:

572.180203

ΔHf, kcal/mol:

124.79

Dipole, Da:

5.33

IP(EA), eV:

 -8.44(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-(2-chlorophenyl)-N-(3,3-difluorocyclobutyl)-2-[3-fluoro-2-[1-(5-methoxypyridin-2-yl)-5-oxopyrrolidin-3-yl]-N-methylanilino]acetamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CN(C(=N)C=C2)C(=N)SC3=CC4=CC(=CN=C4C=C3)N5CCOCC5

DOS

IR

Vibrations