Geometry & MOs

Info

ID:	342780
PubChem CID:	127265943
Reduced:	SN2O3C14H26 (1)
Stoich.:	AB2C3D14E26 (1)
Weight, g/mol:	322.096283
ΔH_f, kcal/mol:	-163.08
Dipole, Da:	2.8
IP(EA), eV:	-9.61(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

CCNC(=O)C(C)NS(=O)(=O)CC12CCC(CC1)CC2

DOS

IR

Vibrations