Geometry & MOs

Info

ID:	130713
PubChem CID:	51095035
Reduced:	NOC9H13 (2)
Stoich.:	ABC9D13 (2)
Weight, g/mol:	348.041607
ΔH_f, kcal/mol:	-75.61
Dipole, Da:	4.2
IP(EA), eV:	-8.6(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]benzoic acid

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CC(=O)N2CCCC2CN3CCCC3

DOS

IR

Vibrations