Geometry & MOs

Info

ID:

426801

PubChem CID:

135153954

Reduced:

NO2C8H9 (2)

Stoich.:

AB2C8D9 (2)

Weight, g/mol:

760.313996

ΔHf, kcal/mol:

-125.66

Dipole, Da:

7.62

IP(EA), eV:

 -8.66(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-3-[[2-[1,2-bis(4-methoxyphenyl)ethylamino]pyridin-4-yl]methyl]-1-N-[(1R)-1-(3-chlorophenyl)propyl]-1-N,2-N-dimethyl-4-oxo-2-N-pyridin-4-ylazetidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)N(CC2=CC=C(C=C2)OC)C(=O)O)CO

DOS

IR

Vibrations