Geometry & MOs

Info

ID:	320417
PubChem CID:	126660376
Reduced:	ClS3O5F6C9H15 (1)
Stoich.:	AB3C5D6E9F15 (1)
Weight, g/mol:	100.034671
ΔH_f, kcal/mol:	-516.1
Dipole, Da:	6.26
IP(EA), eV:	-8.58(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z,3Z)-penta-1,3-diene-1-thiol

Drug info:

PubChemData

Smile

CS(C)(CCOCCC(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)Cl

DOS

IR

Vibrations