Geometry & MOs

Info

ID:	156018
PubChem CID:	56368793
Reduced:	SN4O5C20H26 (1)
Stoich.:	AB4C5D20E26 (1)
Weight, g/mol:	448.14905
ΔH_f, kcal/mol:	-186.72
Dipole, Da:	6.09
IP(EA), eV:	-9.68(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[[1-[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]piperidin-3-yl]methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NCC2CCCN(C2)C(=O)CN3C=CC(=O)N(C3=O)C

DOS

IR

Vibrations