Geometry & MOs

Info

ID:	122775
PubChem CID:	50821031
Reduced:	ClSO3N4C20H31 (1)
Stoich.:	ABC3D4E20F31 (1)
Weight, g/mol:	475.214092
ΔH_f, kcal/mol:	-113.06
Dipole, Da:	6.11
IP(EA), eV:	-8.99(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-(2-piperazin-1-ylsulfonylethyl)propanamide

Drug info:

PubChemData

Smile

CCN1CCCC1CN(CCS(=O)(=O)N2CCNCC2)C(=O)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations