Geometry & MOs

Info

ID:	14461
PubChem CID:	412116
Reduced:	ClNO2S2H16C24 (1)
Stoich.:	ABC2D2E16F24 (1)
Weight, g/mol:	449.031099
ΔH_f, kcal/mol:	27.49
Dipole, Da:	3.13
IP(EA), eV:	-8.7(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-chlorophenyl)methylidene]-3-(4-methyl-9H-xanthen-9-yl)-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(C3=CC=CC=C3O2)N4C(=O)C(=CC5=CC=CC=C5Cl)SC4=S

DOS

IR

Vibrations