Geometry & MOs

Info

ID:	243563
PubChem CID:	99226842
Reduced:	SN2O2F5H13C16 (1)
Stoich.:	AB2C2D5E13F16 (1)
Weight, g/mol:	395.110376
ΔH_f, kcal/mol:	-303.98
Dipole, Da:	7.65
IP(EA), eV:	-9.17(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]-N-phenylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)OC(F)F)NC(=O)C2=C(N=CC=C2)SC(F)(F)F

DOS

IR

Vibrations