Geometry & MOs

Info

ID:	67386
PubChem CID:	46506388
Reduced:	SN2O4C26H26 (1)
Stoich.:	AB2C4D26E26 (1)
Weight, g/mol:	413.140927
ΔH_f, kcal/mol:	-87.62
Dipole, Da:	5.73
IP(EA), eV:	-8.64(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[(2-pyridin-3-ylpiperidine-1-carbothioyl)amino]benzene-1,4-dicarboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=S)N(CCC2=CC=CC=C2)CC3=CC=CC=C3

DOS

IR

Vibrations