Geometry & MOs

Info

ID:	369058
PubChem CID:	127331190
Reduced:	S2N3O3C16H23 (1)
Stoich.:	A2B3C3D16E23 (1)
Weight, g/mol:	343.146681
ΔH_f, kcal/mol:	-114.33
Dipole, Da:	3.6
IP(EA), eV:	-8.63(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1-benzothiophen-3-yl)-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)NC1CCN(CC1)C(=O)NC2CSC3=CC=CC=C23

DOS

IR

Vibrations