Geometry & MOs

Info

ID:

429233

PubChem CID:

135169137

Reduced:

O3N5C28H43 (1)

Stoich.:

A3B5C28D43 (1)

Weight, g/mol:

492.284889

ΔHf, kcal/mol:

-155.15

Dipole, Da:

3.39

IP(EA), eV:

 -8.64(0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-3-[(2-amino-5-methylpyridin-4-yl)methyl]-1-N-[(1R)-1-cyclohexylpropyl]-2-N-methyl-4-oxo-2-N-pyridin-4-ylazetidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CC[C@H](C1CCCCC1)NC(=O)N2[C@@H](C(C2=O)CC3=CC(=NC(=C3)C)N)C(=O)N(C)C4CCCCC4

DOS

IR

Vibrations