Geometry & MOs

Info

ID:	156247
PubChem CID:	56369814
Reduced:	S2N3O6C22H29 (1)
Stoich.:	A2B3C6D22E29 (1)
Weight, g/mol:	442.229014
ΔH_f, kcal/mol:	-172.99
Dipole, Da:	6.76
IP(EA), eV:	-9.33(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[[1-[2-[4-(2-methylpropyl)phenyl]acetyl]piperidin-3-yl]methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations