Geometry & MOs

Info

ID:	39856
PubChem CID:	8142580
Reduced:	NO6C24H31 (1)
Stoich.:	AB6C24D31 (1)
Weight, g/mol:	372.133006
ΔH_f, kcal/mol:	-246.31
Dipole, Da:	3.89
IP(EA), eV:	-8.84(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[2-(1-ethyl-3,3-dimethylindol-2-ylidene)ethylidene]-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

C1CCC2(CC1)O[C@H]3[C@@H](O2)[C@H](O[C@@H]4[C@@H]3OC5(O4)CCCCC5)C(=O)NC6=CC=CC=C6

DOS

IR

Vibrations