Geometry & MOs

Info

ID:	46947
PubChem CID:	10528597
Reduced:	O3C14H22 (2)
Stoich.:	A3B14C22 (2)
Weight, g/mol:	476.260983
ΔH_f, kcal/mol:	-348.39
Dipole, Da:	2.61
IP(EA), eV:	-10.29(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5,5-trimethyl-3-[4-[4-(1-phenylindol-3-yl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CCC4[C@@]3(CC[C@H](C4)OC(=O)C)C)OC(=O)C)C

DOS

IR

Vibrations