Geometry & MOs

Info

ID:	68683
PubChem CID:	46508890
Reduced:	SN2O5C20H20 (1)
Stoich.:	AB2C5D20E20 (1)
Weight, g/mol:	449.177313
ΔH_f, kcal/mol:	-129.45
Dipole, Da:	3.23
IP(EA), eV:	-9.16(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxoethyl] 3-methylthiophene-2-carboxylate

Drug info:

PubChemData

Smile

CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC2=C(OC(=N2)C3=CC=CC=C3)C

DOS

IR

Vibrations