Geometry & MOs

Info

ID:	120663
PubChem CID:	50739530
Reduced:	N2S2O4H18C23 (1)
Stoich.:	A2B2C4D18E23 (1)
Weight, g/mol:	396.071468
ΔH_f, kcal/mol:	-63.44
Dipole, Da:	8.55
IP(EA), eV:	-8.94(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,5Z)-5-[(5-methoxy-1H-indol-3-yl)methylidene]-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)NC3=CC4=C(C=C3)OC(=O)C=C4

DOS

IR

Vibrations