Geometry & MOs

Info

ID:	67389
PubChem CID:	46506393
Reduced:	SN2O4C18H24 (1)
Stoich.:	AB2C4D18E24 (1)
Weight, g/mol:	441.172228
ΔH_f, kcal/mol:	-155.22
Dipole, Da:	4.84
IP(EA), eV:	-8.37(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[[4-(2,5-dimethylphenyl)piperazine-1-carbothioyl]amino]benzene-1,4-dicarboxylate

Drug info:

PubChemData

Smile

CC1CCCC(N1C(=S)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC)C

DOS

IR

Vibrations