Geometry & MOs

Info

ID:	132037
PubChem CID:	51296308
Reduced:	SN3O3C18H21 (1)
Stoich.:	AB3C3D18E21 (1)
Weight, g/mol:	336.999799
ΔH_f, kcal/mol:	-87.15
Dipole, Da:	2.74
IP(EA), eV:	-8.96(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(6-chloro-2H-chromen-3-yl)methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CCC1C2=C(CCN1C(=O)/C=C/C3=CN(C(=O)N(C3=O)C)C)SC=C2

DOS

IR

Vibrations