Geometry & MOs

Info

ID:	369080
PubChem CID:	127331237
Reduced:	S2N3O3C17H25 (1)
Stoich.:	A2B3C3D17E25 (1)
Weight, g/mol:	342.151433
ΔH_f, kcal/mol:	-116.0
Dipole, Da:	3.73
IP(EA), eV:	-8.54(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCS(=O)(=O)N(C)C1CCN(CC1)C(=O)NC2CSC3=CC=CC=C23

DOS

IR

Vibrations