Geometry & MOs

Info

ID:	67405
PubChem CID:	46506415
Reduced:	S2N3O4C16H17 (1)
Stoich.:	A2B3C4D16E17 (1)
Weight, g/mol:	329.086784
ΔH_f, kcal/mol:	-82.98
Dipole, Da:	5.72
IP(EA), eV:	-8.83(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[4-(2-hydroxyethyl)piperazine-1-carbothioyl]amino]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CS1)NC(=S)N2CCN(CC2)C(=O)C3=CC=CO3

DOS

IR

Vibrations