Geometry & MOs

Info

ID:	405067
PubChem CID:	135072388
Reduced:	ClSN2O4H15C24 (1)
Stoich.:	ABC2D4E15F24 (1)
Weight, g/mol:	232.092186
ΔH_f, kcal/mol:	-34.88
Dipole, Da:	6.9
IP(EA), eV:	-8.98(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-ethyl (2E,4E)-3-methyl-5-phenylpenta-2,4-dienethioate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)C3=CN(C4=CC=CC=C43)S(=O)(=O)C5=CC=CC=C5

DOS

IR

Vibrations