Geometry & MOs

Info

ID:	347493
PubChem CID:	127272348
Reduced:	SO3N7C16H19 (1)
Stoich.:	AB3C7D16E19 (1)
Weight, g/mol:	369.114713
ΔH_f, kcal/mol:	-0.54
Dipole, Da:	3.96
IP(EA), eV:	-9.36(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperazine-1-carbonyl]-1H-pyridin-2-one

Drug info:

PubChemData

Smile

C1CC1N2C(=NN=N2)SCC(=O)N3CCN(CC3)C(=O)C4=CNC(=O)C=C4

DOS

IR

Vibrations