Geometry & MOs

Info

ID:	295042
PubChem CID:	117512624
Reduced:	BrFSN2C13H18 (1)
Stoich.:	ABCD2E13F18 (1)
Weight, g/mol:	333.011865
ΔH_f, kcal/mol:	-21.62
Dipole, Da:	2.28
IP(EA), eV:	-8.66(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,5-difluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CSC1=C(C=C(C=C1Br)CCN2CCNCC2)F

DOS

IR

Vibrations