Geometry & MOs

Info

ID:	162565
PubChem CID:	57395089
Reduced:	ClSO3H17C22 (1)
Stoich.:	ABC3D17E22 (1)
Weight, g/mol:	437.093309
ΔH_f, kcal/mol:	-33.83
Dipole, Da:	6.65
IP(EA), eV:	-9.47(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-benzylsulfonyl-1-(4-methoxyphenyl)-3-(4-nitrophenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CS(=O)(=O)/C(=C/C2=CC=CC=C2Cl)/C(=O)C3=CC=CC=C3

DOS

IR

Vibrations