Geometry & MOs

Info

ID:	156185
PubChem CID:	56369435
Reduced:	FSN2O3C21H25 (1)
Stoich.:	ABC2D3E21F25 (1)
Weight, g/mol:	468.094427
ΔH_f, kcal/mol:	-141.77
Dipole, Da:	5.91
IP(EA), eV:	-9.37(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]piperidin-3-yl]methyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NCC2CCCN(C2)C(=O)CC3=CC=CC=C3F

DOS

IR

Vibrations