Geometry & MOs

Info

ID:	142756
PubChem CID:	53086578
Reduced:	ClFO3N4H16C21 (1)
Stoich.:	ABC3D4E16F21 (1)
Weight, g/mol:	412.073846
ΔH_f, kcal/mol:	-37.1
Dipole, Da:	5.27
IP(EA), eV:	-9.31(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations