Geometry & MOs

Info

ID:	37588
PubChem CID:	8022503
Reduced:	NSO4C13H19 (1)
Stoich.:	ABC4D13E19 (1)
Weight, g/mol:	246.040247
ΔH_f, kcal/mol:	-138.53
Dipole, Da:	6.97
IP(EA), eV:	-8.34(0.2)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CN[C@@H]2CCS(=O)(=O)C2)OC

DOS

IR

Vibrations