Geometry & MOs

Info

ID:

429237

PubChem CID:

135169141

Reduced:

F3O4N6C27H27 (1)

Stoich.:

A3B4C6D27E27 (1)

Weight, g/mol:

585.15213

ΔHf, kcal/mol:

-231.77

Dipole, Da:

5.14

IP(EA), eV:

 -9.15(-0.83)

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-(3,5-dichlorophenyl)-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations