Geometry & MOs

Info

ID:	67406
PubChem CID:	46506417
Reduced:	S2N3O3C13H19 (1)
Stoich.:	A2B3C3D13E19 (1)
Weight, g/mol:	357.081698
ΔH_f, kcal/mol:	-89.27
Dipole, Da:	4.45
IP(EA), eV:	-8.69(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(2-methoxycarbonylthiophen-3-yl)carbamothioyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CS1)NC(=S)N2CCN(CC2)CCO

DOS

IR

Vibrations