Geometry & MOs

Info

ID:	240813
PubChem CID:	93617666
Reduced:	NSF3O4C8H12 (1)
Stoich.:	ABC3D4E8F12 (1)
Weight, g/mol:	253.124883
ΔH_f, kcal/mol:	-337.94
Dipole, Da:	4.86
IP(EA), eV:	-10.46(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)C[C@H]1NC(=O)COCC(F)(F)F

DOS

IR

Vibrations