Geometry & MOs

Info

ID:	142781
PubChem CID:	53091151
Reduced:	ClFO3N4H18C23 (1)
Stoich.:	ABC3D4E18F23 (1)
Weight, g/mol:	402.122714
ΔH_f, kcal/mol:	-60.38
Dipole, Da:	6.23
IP(EA), eV:	-9.25(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(4-fluorophenyl)-5-(3,4,5-trimethoxyanilino)-1,2-oxazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1CC(=O)NC2=CC(=C(C=C2)F)Cl)C3=NC(=NO3)C4=CC=CC=C4)C

DOS

IR

Vibrations