Geometry & MOs

Info

ID:	229971
PubChem CID:	87569744
Reduced:	ClSN2O2H9C11 (1)
Stoich.:	ABC2D2E9F11 (1)
Weight, g/mol:	390.137971
ΔH_f, kcal/mol:	-18.85
Dipole, Da:	3.16
IP(EA), eV:	-10.23(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-2-phenylcyclohexa-2,4-diene-1-carbaldehyde

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=CC(=C1)C2=NC(=NC=C2)Cl

DOS

IR

Vibrations