Geometry & MOs

Info

ID:	162566
PubChem CID:	57395090
Reduced:	NSO6H19C23 (1)
Stoich.:	ABC6D19E23 (1)
Weight, g/mol:	464.046078
ΔH_f, kcal/mol:	-69.61
Dipole, Da:	8.84
IP(EA), eV:	-9.65(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-benzylsulfonyl-1-(4-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)/C(=C\C2=CC=C(C=C2)[N+](=O)[O-])/S(=O)(=O)CC3=CC=CC=C3

DOS

IR

Vibrations