Geometry & MOs

Info

ID:	142755
PubChem CID:	53086422
Reduced:	SF2N3O3H13C15 (1)
Stoich.:	AB2C3D3E13F15 (1)
Weight, g/mol:	426.089496
ΔH_f, kcal/mol:	-164.49
Dipole, Da:	5.95
IP(EA), eV:	-9.34(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(4-chlorophenyl)-4-(4-fluoro-2-methylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)S(=O)(=O)NC(N2)C(=O)NC3=CC(=C(C=C3)F)F

DOS

IR

Vibrations