Geometry & MOs

Info

ID:	405297
PubChem CID:	135073355
Reduced:	NOCl4H11C12 (1)
Stoich.:	ABC4D11E12 (1)
Weight, g/mol:	316.149701
ΔH_f, kcal/mol:	-15.72
Dipole, Da:	3.08
IP(EA), eV:	-9.69(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-ethyl (E)-6-(2-benzoylcyclopropyl)-2-methylhex-2-enethioate

Drug info:

PubChemData

Smile

C=C(CCOC(=N)C(Cl)(Cl)Cl)C1=CC=C(C=C1)Cl

DOS

IR

Vibrations