Geometry & MOs

Info

ID:	388376
PubChem CID:	134988962
Reduced:	ClSF2O2C9H13 (1)
Stoich.:	ABC2D2E9F13 (1)
Weight, g/mol:	252.082016
ΔH_f, kcal/mol:	-226.03
Dipole, Da:	2.64
IP(EA), eV:	-9.72(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-(4-methoxyphenyl)-3-propoxy-3-sulfanylprop-2-en-1-one

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1CCCC[C@H]1SC(F)(F)Cl

DOS

IR

Vibrations