Geometry & MOs

Info

ID:	282997
PubChem CID:	103952366
Reduced:	SN3O5C11H11 (1)
Stoich.:	AB3C5D11E11 (1)
Weight, g/mol:	215.069477
ΔH_f, kcal/mol:	-45.96
Dipole, Da:	7.65
IP(EA), eV:	-9.85(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,2-oxazol-5-ylmethyl)-1,3-benzoxazol-2-amine

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC(=C(C=C1)NCC2=CC=NO2)[N+](=O)[O-]

DOS

IR

Vibrations