Geometry & MOs

Info

ID:	67388
PubChem CID:	46506392
Reduced:	SN2O4C21H24 (1)
Stoich.:	AB2C4D21E24 (1)
Weight, g/mol:	364.145678
ΔH_f, kcal/mol:	-123.01
Dipole, Da:	6.09
IP(EA), eV:	-8.54(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[(2,6-dimethylpiperidine-1-carbothioyl)amino]benzene-1,4-dicarboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations