Geometry & MOs

Info

ID:	138715
PubChem CID:	52415054
Reduced:	SN3O4C19H25 (1)
Stoich.:	AB3C4D19E25 (1)
Weight, g/mol:	417.172228
ΔH_f, kcal/mol:	-133.03
Dipole, Da:	2.88
IP(EA), eV:	-8.77(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(benzenesulfonyl)-N-[3-(4-methoxyphenyl)propyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCCNC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N

DOS

IR

Vibrations