Geometry & MOs

Info

ID:	21197
PubChem CID:	587611
Reduced:	NCl2S2O3H9C13 (1)
Stoich.:	AB2C2D3E9F13 (1)
Weight, g/mol:	360.940091
ΔH_f, kcal/mol:	-76.99
Dipole, Da:	4.45
IP(EA), eV:	-9.01(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(4-chlorodithiazol-5-ylidene)-3-(4-chlorophenyl)-3-oxopropanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(=C1C(=NSS1)Cl)C(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations