Geometry & MOs

Info

ID:	408457
PubChem CID:	135081223
Reduced:	ClO3C11H11 (1)
Stoich.:	AB3C11D11 (1)
Weight, g/mol:	299.86816
ΔH_f, kcal/mol:	-92.75
Dipole, Da:	3.87
IP(EA), eV:	-9.4(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-1,1,2,3,4-pentachloro-4-propan-2-ylsulfanylbuta-1,3-diene

Drug info:

PubChemData

Smile

COC(=C(C(=O)OC)Cl)C1=CC=CC=C1

DOS

IR

Vibrations