Geometry & MOs

Info

ID:	146831
PubChem CID:	53755780
Reduced:	ClSN3H10C13 (1)
Stoich.:	ABC3D10E13 (1)
Weight, g/mol:	268.109944
ΔH_f, kcal/mol:	89.71
Dipole, Da:	4.51
IP(EA), eV:	-9.14(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-hydroxyethoxy)phenyl]-3-phenylprop-2-en-1-one

Drug info:

PubChemData

Smile

C1C(=S)NC2=C(C=C(C=C2)Cl)C(=N1)N3C=CC=C3

DOS

IR

Vibrations