Geometry & MOs

Info

ID:	401041
PubChem CID:	135049886
Reduced:	O7C12H14 (1)
Stoich.:	A7B12C14 (1)
Weight, g/mol:	252.064257
ΔH_f, kcal/mol:	-250.16
Dipole, Da:	3.1
IP(EA), eV:	-10.91(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-ethylsulfanyl-2-methyl-3-methylsulfanyl-1-phenylprop-2-en-1-one

Drug info:

PubChemData

Smile

COC(=O)C1=C(C2(CCC1O2)C(=O)OC)C(=O)OC

DOS

IR

Vibrations