Geometry & MOs

Info

ID:	59661
PubChem CID:	24892362
Reduced:	N2S2O5H18C19 (1)
Stoich.:	A2B2C5D18E19 (1)
Weight, g/mol:	474.226705
ΔH_f, kcal/mol:	-136.5
Dipole, Da:	6.08
IP(EA), eV:	-9.16(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]ethane-1,2-dione

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CCS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations