Geometry & MOs

Info

ID:	354488
PubChem CID:	127287037
Reduced:	SN3O3C16H27 (1)
Stoich.:	AB3C3D16E27 (1)
Weight, g/mol:	371.177982
ΔH_f, kcal/mol:	-150.89
Dipole, Da:	3.19
IP(EA), eV:	-8.72(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-phenyl-1H-1,2,4-triazol-5-yl)-N-(thian-4-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N2CCOCC2)C(=O)NC3CCSCC3

DOS

IR

Vibrations