Geometry & MOs

Info

ID:	156080
PubChem CID:	56369055
Reduced:	SN4O5C25H30 (1)
Stoich.:	AB4C5D25E30 (1)
Weight, g/mol:	444.208279
ΔH_f, kcal/mol:	-116.57
Dipole, Da:	3.25
IP(EA), eV:	-9.06(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[[1-[4-(2-methylphenoxy)butanoyl]piperidin-3-yl]methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NCC2CCCN(C2)C(=O)CCC3=NC(=NO3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations