Geometry & MOs

Info

ID:	33607
PubChem CID:	7887171
Reduced:	ON3S3C16H17 (1)
Stoich.:	AB3C3D16E17 (1)
Weight, g/mol:	398.093643
ΔH_f, kcal/mol:	22.33
Dipole, Da:	6.3
IP(EA), eV:	-8.86(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=NC=N2)SCC(=O)N[C@@H](C)C3=CC=CS3)C

DOS

IR

Vibrations