Geometry & MOs

Info

ID:	385886
PubChem CID:	134980240
Reduced:	ClSeSiO2C17H23 (1)
Stoich.:	ABCD2E17F23 (1)
Weight, g/mol:	296.063779
ΔH_f, kcal/mol:	-123.09
Dipole, Da:	2.86
IP(EA), eV:	-8.88(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-chlorophenyl)sulfanyl-4-methoxycyclohex-3-en-1-yl]ethanone

Drug info:

PubChemData

Smile

C[C@H]1CC(=CC[C@@]1(C=O)[Se]C2=CC=C(C=C2)Cl)O[Si](C)(C)C

DOS

IR

Vibrations