Geometry & MOs

Info

ID:	67395
PubChem CID:	46506402
Reduced:	N2O2S2C15H16 (1)
Stoich.:	A2B2C2D15E16 (1)
Weight, g/mol:	362.087118
ΔH_f, kcal/mol:	-20.36
Dipole, Da:	5.47
IP(EA), eV:	-8.67(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations