Geometry & MOs

Info

ID:	30781
PubChem CID:	841870
Reduced:	BrNOSC14H14 (1)
Stoich.:	ABCDE14F14 (1)
Weight, g/mol:	254.025833
ΔH_f, kcal/mol:	-11.49
Dipole, Da:	2.42
IP(EA), eV:	-8.75(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-2-fluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC(=CS1)C(=O)NC2=C(C=C(C=C2)C)Br

DOS

IR

Vibrations