Geometry & MOs

Info

ID:

429276

PubChem CID:

135169189

Reduced:

O2N3C17H21 (2)

Stoich.:

A2B3C17D21 (2)

Weight, g/mol:

489.27399

ΔHf, kcal/mol:

-93.29

Dipole, Da:

8.49

IP(EA), eV:

 -8.86(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C1CCCCC1)NC(=O)N2[C@@H]([C@H](C2=O)CC3=CC(=NC=C3)NCC4=CC=C(C=C4)OC)C(=O)N(C)C5=CC=NC=C5

DOS

IR

Vibrations