Geometry & MOs

Info

ID:

429155

PubChem CID:

135168946

Reduced:

O3N7C25H27 (1)

Stoich.:

A3B7C25D27 (1)

Weight, g/mol:

503.139208

ΔHf, kcal/mol:

-16.01

Dipole, Da:

6.41

IP(EA), eV:

 -9.2(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-3-[(2-aminopyridin-4-yl)methyl]-1-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations