Geometry & MOs

Info

ID:

429252

PubChem CID:

135169156

Reduced:

ClO3N7C26H28 (1)

Stoich.:

AB3C7D26E28 (1)

Weight, g/mol:

551.191102

ΔHf, kcal/mol:

-38.19

Dipole, Da:

2.7

IP(EA), eV:

 -8.85(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C1=CC(=CC=C1)Cl)NC(=O)N2[C@@H](C(C2=O)CC3=CC(=NC(=C3)C)N)C(=O)N(C)C4=NC=CC=N4

DOS

IR

Vibrations