Geometry & MOs

Info

ID:	219395
PubChem CID:	85148357
Reduced:	ClF4N4O4C19H21 (1)
Stoich.:	AB4C4D4E19F21 (1)
Weight, g/mol:	478.066653
ΔH_f, kcal/mol:	-360.28
Dipole, Da:	5.11
IP(EA), eV:	-9.06(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-(4-fluorophenyl)methyl]-2-phenyl-4H-1,3-oxazol-5-one

Drug info:

PubChemData

Smile

CN1C(CC(=O)N(C1=O)C2=C(C=C(C(=C2)NC(=O)N3CCC(CC3)OC)Cl)F)C(F)(F)F

DOS

IR

Vibrations