Geometry & MOs

Info

ID:	405332
PubChem CID:	135073521
Reduced:	ClNSO3C14H16 (1)
Stoich.:	ABCD3E14F16 (1)
Weight, g/mol:	330.165351
ΔH_f, kcal/mol:	-68.47
Dipole, Da:	4.31
IP(EA), eV:	-10.01(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(C1)(C#CCCNS(=O)(=O)C2=CC=C(C=C2)Cl)O

DOS

IR

Vibrations