Geometry & MOs

Info

ID:	361568
PubChem CID:	127303760
Reduced:	SN3O3C20H31 (1)
Stoich.:	AB3C3D20E31 (1)
Weight, g/mol:	397.167142
ΔH_f, kcal/mol:	-121.63
Dipole, Da:	7.28
IP(EA), eV:	-8.77(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(1,4-dioxane-2-carbonyl)piperazin-1-yl]ethyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NCCN2CCN(CC2)C(=O)C3(CCCC3)C

DOS

IR

Vibrations