Geometry & MOs

Info

ID:	36389
PubChem CID:	8004881
Reduced:	ON2S2C16H20 (1)
Stoich.:	AB2C2D16E20 (1)
Weight, g/mol:	416.093913
ΔH_f, kcal/mol:	-21.74
Dipole, Da:	5.84
IP(EA), eV:	-8.95(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[benzyl(methyl)amino]-2-oxoethyl] 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)CSC2=NC3=CC=CC=C3CS2

DOS

IR

Vibrations