Geometry & MOs

Info

ID:	129570
PubChem CID:	51073138
Reduced:	SO2N3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	238.077599
ΔH_f, kcal/mol:	-46.66
Dipole, Da:	2.9
IP(EA), eV:	-9.04(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4,5-dimethylthiophene-2-carbonyl)piperazin-2-one

Drug info:

PubChemData

Smile

CC12CCC(=O)N1C(CS2)C(=O)NC3=NC4=CC=CC=C4C=C3

DOS

IR

Vibrations