Geometry & MOs

Info

ID:

426816

PubChem CID:

135154009

Reduced:

O3N5C21H27 (1)

Stoich.:

A3B5C21D27 (1)

Weight, g/mol:

547.240639

ΔHf, kcal/mol:

-19.66

Dipole, Da:

3.45

IP(EA), eV:

 -8.6(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-3-[(2-aminopyridin-4-yl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-(4-methoxyphenyl)-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CC1=C(N=CN=C1N2CC3(C2)COC3)N4CCC(CC4)OC5=CN=C(C=C5)OC

DOS

IR

Vibrations