Geometry & MOs

Info

ID:	67391
PubChem CID:	46506395
Reduced:	SN2O4C19H20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	481.128312
ΔH_f, kcal/mol:	-107.82
Dipole, Da:	5.76
IP(EA), eV:	-8.55(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1)C(=S)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC

DOS

IR

Vibrations