Geometry & MOs

Info

ID:	320980
PubChem CID:	126664331
Reduced:	FN2O3C16H17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	620.259933
ΔH_f, kcal/mol:	-126.46
Dipole, Da:	2.67
IP(EA), eV:	-9.69(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-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]-5-(oxan-2-yl)pentanamide

Drug info:

PubChemData

Smile

CC(C)OC1=NC=C(C=N1)[C@@H](CC(=O)O)C2=CC=C(C=C2)F

DOS

IR

Vibrations