Geometry & MOs

Info

ID:	179248
PubChem CID:	76455617
Reduced:	N2O5C17H20 (1)
Stoich.:	A2B5C17D20 (1)
Weight, g/mol:	358.117356
ΔH_f, kcal/mol:	-122.57
Dipole, Da:	3.92
IP(EA), eV:	-9.66(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1H-inden-1-yl)-1-[2-(1,3-thiazolidine-3-carbothioyl)pyrrolidin-3-yl]ethanone

Drug info:

PubChemData

Smile

C1CC2CN(CC(=O)N2C1)C(=O)OOC(=O)CCC3=CC=CC=C3

DOS

IR

Vibrations