Geometry & MOs

Info

ID:	244847
PubChem CID:	99431465
Reduced:	ClN2O2F3H16C19 (1)
Stoich.:	AB2C2D3E16F19 (1)
Weight, g/mol:	452.138148
ΔH_f, kcal/mol:	-194.12
Dipole, Da:	1.5
IP(EA), eV:	-9.06(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(4-methylsulfanylphenyl)-5-oxo-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@](CCNC(=O)C2=CC3=C(N2)C=CC(=C3)Cl)(C(F)(F)F)O

DOS

IR

Vibrations