Geometry & MOs

Info

ID:	294598
PubChem CID:	117473105
Reduced:	BrN2C14H17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	292.999408
ΔH_f, kcal/mol:	38.26
Dipole, Da:	4.3
IP(EA), eV:	-8.25(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)-1,2-oxazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=C(C2=C(C=CC=C21)C3CCCNC3)Br

DOS

IR

Vibrations