Geometry & MOs

Info

ID:

321064

PubChem CID:

126664612

Reduced:

NO2C10H12 (2)

Stoich.:

AB2C10D12 (2)

Weight, g/mol:

649.210123

ΔHf, kcal/mol:

-124.0

Dipole, Da:

5.09

IP(EA), eV:

 -8.81(0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3S)-2-amino-3-(4-chlorophenyl)-3-[5-(1,1-difluoroethyl)pyridin-3-yl]-N-[2-[2-(2,2-dioxo-2lambda6-thia-1,7-diazabicyclo[4.3.1]decan-9-yl)ethyl]-3-fluorophenyl]propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations