Geometry & MOs

Info

ID:

429180

PubChem CID:

135169027

Reduced:

ClO3N5C27H28 (1)

Stoich.:

AB3C5D27E28 (1)

Weight, g/mol:

543.245724

ΔHf, kcal/mol:

-53.88

Dipole, Da:

3.33

IP(EA), eV:

 -8.95(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-3-[(2-aminopyridin-4-yl)methyl]-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-oxoazetidine-1-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations