Geometry & MOs

Info

ID:

429207

PubChem CID:

135169057

Reduced:

ClF3O3N5C25H27 (1)

Stoich.:

AB3C3D5E25F27 (1)

Weight, g/mol:

486.237939

ΔHf, kcal/mol:

-257.67

Dipole, Da:

3.27

IP(EA), eV:

 -8.99(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-3-[(2-aminopyridin-4-yl)methyl]-2-N-methyl-4-oxo-2-N-phenyl-1-N-[(1R)-1-pyridin-3-ylbutyl]azetidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)[C@@H](C(F)(F)F)NC(=O)N2[C@@H](C(C2=O)CC3=CC(=NC=C3)N)C(=O)NC4=CC=C(C=C4)Cl

DOS

IR

Vibrations