Geometry & MOs

Info

ID:	194094
PubChem CID:	78481853
Reduced:	SN4O4H18C20 (1)
Stoich.:	AB4C4D18E20 (1)
Weight, g/mol:	360.153501
ΔH_f, kcal/mol:	-31.29
Dipole, Da:	5.4
IP(EA), eV:	-9.17(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(4-methylpiperazine-1,4-diium-1-yl)-4-oxo-4-[3-(trifluoromethyl)anilino]butanoate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC(=C1)C#N)SC2=NN=C(O2)C3=CC(=CC(=C3)OC)OC

DOS

IR

Vibrations