Geometry & MOs

Info

ID:	411293
PubChem CID:	135084106
Reduced:	OCl2N2C10H10 (1)
Stoich.:	AB2C2D10E10 (1)
Weight, g/mol:	208.055801
ΔH_f, kcal/mol:	-2.35
Dipole, Da:	3.89
IP(EA), eV:	-9.65(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-(4-methoxyphenyl)-3-sulfanylbut-2-en-1-one

Drug info:

PubChemData

Smile

C1CC1N(C2=NC(=CC=C2)Cl)C(=O)CCl

DOS

IR

Vibrations