Geometry & MOs

Info

ID:

429244

PubChem CID:

135169148

Reduced:

O3F4N5C26H29 (1)

Stoich.:

A3B4C5D26E29 (1)

Weight, g/mol:

533.224989

ΔHf, kcal/mol:

-287.01

Dipole, Da:

4.59

IP(EA), eV:

 -9.13(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C1=CC(=CC=C1)F)C(=O)[C@@H]2[C@H](C(=O)N2C(=O)N[C@@H](C3CCCCC3)C(F)(F)F)CC4=CC(=NC=C4)N

DOS

IR

Vibrations