Geometry & MOs

Info

ID:	192512
PubChem CID:	78279260
Reduced:	SO2N6C20H20 (1)
Stoich.:	AB2C6D20E20 (1)
Weight, g/mol:	402.152124
ΔH_f, kcal/mol:	40.83
Dipole, Da:	3.88
IP(EA), eV:	-8.78(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(2,6-dimethylmorpholin-4-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC(N(N2)C(=O)CSC3=NC(=CC(=N3)N)N)C4=CC=CO4

DOS

IR

Vibrations