Geometry & MOs

Info

ID:	294960
PubChem CID:	117509344
Reduced:	BrON2C15H23 (1)
Stoich.:	ABC2D15E23 (1)
Weight, g/mol:	327.041273
ΔH_f, kcal/mol:	-28.92
Dipole, Da:	1.9
IP(EA), eV:	-8.63(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,6-dimethoxy-2-methylsulfonylphenyl)-1,2-oxazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=CC(=C(C(=C1)Br)OC)C2CC(CN2C)CN

DOS

IR

Vibrations