Geometry & MOs

Info

ID:

321040

PubChem CID:

126664523

Reduced:

N2O2C13H18 (2)

Stoich.:

A2B2C13D18 (2)

Weight, g/mol:

653.185051

ΔHf, kcal/mol:

-143.58

Dipole, Da:

5.12

IP(EA), eV:

 -8.78(0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3S)-2-amino-3-(4-chlorophenyl)-N-[2-[2-(2,2-dioxo-2lambda6-thia-1,7-diazabicyclo[4.3.1]decan-9-yl)ethyl]-3-fluorophenyl]-3-[6-(trifluoromethyl)pyridin-3-yl]propanamide

Drug info:

PubChemData

Smile

CC(C)N[C@@H](CC1=CC=CC=C1)C(=O)NNC(=O)[C@@H](CC2=CC=C(C=C2)OC(C)C)NC(=O)C

DOS

IR

Vibrations