Geometry & MOs

Info

ID:

429267

PubChem CID:

135169171

Reduced:

ON2C9H10 (3)

Stoich.:

AB2C9D10 (3)

Weight, g/mol:

491.28964

ΔHf, kcal/mol:

-44.85

Dipole, Da:

3.43

IP(EA), eV:

 -9.01(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C1=CC=CC=C1C)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