Geometry & MOs

Info

ID:	162564
PubChem CID:	57395087
Reduced:	FON5H14C15 (1)
Stoich.:	ABC5D14E15 (1)
Weight, g/mol:	396.058693
ΔH_f, kcal/mol:	31.19
Dipole, Da:	4.32
IP(EA), eV:	-9.04(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-benzylsulfonyl-3-(2-chlorophenyl)-1-phenylprop-2-en-1-one

Drug info:

PubChemData

Smile

C1COCCN1C2=NC3=C(C=C2)N=NN3C4=CC=C(C=C4)F

DOS

IR

Vibrations