Geometry & MOs

Info

ID:

429243

PubChem CID:

135169147

Reduced:

FO3N6C26H27 (1)

Stoich.:

AB3C6D26E27 (1)

Weight, g/mol:

535.220652

ΔHf, kcal/mol:

-83.17

Dipole, Da:

4.12

IP(EA), eV:

 -9.03(-0.62)

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-(3-fluorophenyl)-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CC[C@H](C1=CC(=CC=C1)F)NC(=O)N2[C@@H]([C@H](C2=O)CC3=CC(=NC=C3)N)C(=O)N(C)C4=CC=NC=C4

DOS

IR

Vibrations