Geometry & MOs

Info

ID:

429175

PubChem CID:

135169022

Reduced:

ClO3N6C27H29 (1)

Stoich.:

AB3C6D27E29 (1)

Weight, g/mol:

508.203445

ΔHf, kcal/mol:

-44.41

Dipole, Da:

6.38

IP(EA), eV:

 -8.74(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-3-[(2-aminopyridin-4-yl)methyl]-1-N-[(1R)-1-(2,5-difluorophenyl)propyl]-2-N-methyl-4-oxo-2-N-pyridin-4-ylazetidine-1,2-dicarboxamide

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)NC)C(=O)N(C)C4=CC=NC=C4

DOS

IR

Vibrations