Geometry & MOs

Info

ID:	361464
PubChem CID:	127303564
Reduced:	SO2N5C19H25 (1)
Stoich.:	AB2C5D19E25 (1)
Weight, g/mol:	337.112999
ΔH_f, kcal/mol:	-26.87
Dipole, Da:	3.59
IP(EA), eV:	-8.72(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(oxan-2-ylmethylsulfanyl)acetyl]piperazine-1-sulfonamide

Drug info:

PubChemData

Smile

C1CCC(CC1)(CC(=O)NC2=NC=CS2)CC(=O)N3CCCN4C3=CC=N4

DOS

IR

Vibrations