Geometry & MOs

Info

ID:	69148
PubChem CID:	46525519
Reduced:	SN3O3C15H25 (1)
Stoich.:	AB3C3D15E25 (1)
Weight, g/mol:	452.138148
ΔH_f, kcal/mol:	-99.12
Dipole, Da:	5.37
IP(EA), eV:	-8.94(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCN(CCC)C(=O)CSC(C)C(=O)NC1=NOC(=C1)C

DOS

IR

Vibrations