Geometry & MOs

Info

ID:	240830
PubChem CID:	93617730
Reduced:	NSO2F3C12H14 (1)
Stoich.:	ABC2D3E12F14 (1)
Weight, g/mol:	332.119464
ΔH_f, kcal/mol:	-219.02
Dipole, Da:	2.88
IP(EA), eV:	-9.14(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)C(=O)COCC(F)(F)F)C2=CC=CS2

DOS

IR

Vibrations