Geometry & MOs

Info

ID:	148775
PubChem CID:	53788444
Reduced:	SO2N5C18H23 (1)
Stoich.:	AB2C5D18E23 (1)
Weight, g/mol:	341.073118
ΔH_f, kcal/mol:	-17.54
Dipole, Da:	2.81
IP(EA), eV:	-8.2(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-3-(2-fluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=CC(=C3C(=CN(C3=C2)S(=O)(=O)C)C)NNC(N)N

DOS

IR

Vibrations