Geometry & MOs

Info

ID:	142757
PubChem CID:	53086637
Reduced:	ClFO3N4H14C20 (1)
Stoich.:	ABC3D4E14F20 (1)
Weight, g/mol:	412.073846
ΔH_f, kcal/mol:	-26.43
Dipole, Da:	6.98
IP(EA), eV:	-9.41(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=NC(=C2C(=NOC2=N1)C3=CC=CC=C3Cl)NC4=CC(=CC=C4)F

DOS

IR

Vibrations