Geometry & MOs

Info

ID:

429187

PubChem CID:

135169034

Reduced:

O3N6C29H34 (1)

Stoich.:

A3B6C29D34 (1)

Weight, g/mol:

503.28964

ΔHf, kcal/mol:

-60.46

Dipole, Da:

6.31

IP(EA), eV:

 -8.99(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations