Geometry & MOs

Info

ID:	314951
PubChem CID:	126624005
Reduced:	ClN2O2F4H15C18 (1)
Stoich.:	AB2C2D4E15F18 (1)
Weight, g/mol:	404.131441
ΔH_f, kcal/mol:	-267.08
Dipole, Da:	3.76
IP(EA), eV:	-9.24(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[[(1R)-1-(3-chloro-2-fluorophenyl)-2-hydroxyethyl]carbamoyl]-4-fluoropyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)NC(CC(F)(F)F)C(=O)NC1=CC=CC(=C1F)C2=CC=CC=C2Cl

DOS

IR

Vibrations