Geometry & MOs

Info

ID:	67384
PubChem CID:	46506385
Reduced:	SN4O6C21H22 (1)
Stoich.:	AB4C6D21E22 (1)
Weight, g/mol:	364.145678
ΔH_f, kcal/mol:	-105.59
Dipole, Da:	7.84
IP(EA), eV:	-9.06(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[(2-ethylpiperidine-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)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations