Geometry & MOs

Info

ID:	122310
PubChem CID:	50801885
Reduced:	ClSN3O3C21H24 (1)
Stoich.:	ABC3D3E21F24 (1)
Weight, g/mol:	453.208613
ΔH_f, kcal/mol:	-82.55
Dipole, Da:	2.89
IP(EA), eV:	-9.09(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-(4-phenylbutan-2-yl)-5-piperidin-1-ylsulfonylindole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=C2)C(=O)NCC3=CC=C(C=C3)Cl)C

DOS

IR

Vibrations