Geometry & MOs

Info

ID:	308435
PubChem CID:	125327975
Reduced:	SN3O5H21C24 (1)
Stoich.:	AB3C5D21E24 (1)
Weight, g/mol:	288.970877
ΔH_f, kcal/mol:	-63.59
Dipole, Da:	4.7
IP(EA), eV:	-9.04(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloro-6-fluorophenyl)-5-(chloromethyl)-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2[C@H](N=C3C4=CC=CC=C4N=C3C2=O)SCC5=CC[C@@H](O5)C(=O)OC

DOS

IR

Vibrations