Geometry & MOs

Info

ID:	128927
PubChem CID:	51063684
Reduced:	SO2N3H9C11 (1)
Stoich.:	AB2C3D9E11 (1)
Weight, g/mol:	291.087099
ΔH_f, kcal/mol:	57.01
Dipole, Da:	5.71
IP(EA), eV:	-8.77(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)N)SC2=C(N=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations