Geometry & MOs

Info

ID:	67413
PubChem CID:	46506426
Reduced:	SN2O2C12H14 (2)
Stoich.:	AB2C2D12E14 (2)
Weight, g/mol:	382.171499
ΔH_f, kcal/mol:	-107.08
Dipole, Da:	8.15
IP(EA), eV:	-8.68(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(4-benzylpiperidine-1-carbothioyl)amino]benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=CC=C1NC(=S)N2CCN(CC2)C(=S)NC3=CC=CC=C3C(=O)OCC

DOS

IR

Vibrations