Geometry & MOs

Info

ID:	156110
PubChem CID:	56369165
Reduced:	SN2O3C25H32 (1)
Stoich.:	AB2C3D25E32 (1)
Weight, g/mol:	455.224263
ΔH_f, kcal/mol:	-93.38
Dipole, Da:	7.91
IP(EA), eV:	-9.2(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[[1-[3-(pyrrolidin-1-ylmethyl)benzoyl]piperidin-3-yl]methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NCC2CCCN(C2)C(=O)C3(CC3)C4=CC(=CC(=C4)C)C

DOS

IR

Vibrations