Geometry & MOs

Info

ID:

429227

PubChem CID:

135169131

Reduced:

O3N6C26H28 (1)

Stoich.:

A3B6C26D28 (1)

Weight, g/mol:

718.384269

ΔHf, kcal/mol:

-33.58

Dipole, Da:

4.08

IP(EA), eV:

 -9.0(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-3-[[2-[bis[(4-methoxyphenyl)methyl]amino]pyridin-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](C1=CC=NC=C1)NC(=O)N2[C@@H]([C@H](C2=O)CC3=CC(=NC=C3)N)C(=O)N(C)C4=CC=CC=C4

DOS

IR

Vibrations