Geometry & MOs

Info

ID:	67399
PubChem CID:	46506407
Reduced:	SN2O4C13H14 (2)
Stoich.:	AB2C4D13E14 (2)
Weight, g/mol:	441.172228
ΔH_f, kcal/mol:	-254.52
Dipole, Da:	3.52
IP(EA), eV:	-8.77(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[[4-(2,3-dimethylphenyl)piperazine-1-carbothioyl]amino]benzene-1,4-dicarboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=S)N2CCN(CC2)C(=S)NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC

DOS

IR

Vibrations