Geometry & MOs

Info

ID:	120668
PubChem CID:	50739940
Reduced:	S2N3O3H19C22 (1)
Stoich.:	A2B3C3D19E22 (1)
Weight, g/mol:	400.102768
ΔH_f, kcal/mol:	11.14
Dipole, Da:	2.29
IP(EA), eV:	-8.28(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-(3-morpholin-4-ylpropyl)-5-(quinoxalin-6-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCN2C(=O)/C(=C/C3=CC4=NC=CN=C4C=C3)/SC2=S)OC

DOS

IR

Vibrations