Geometry & MOs

Info

ID:	406678
PubChem CID:	135078325
Reduced:	NSO3C11H21 (1)
Stoich.:	ABC3D11E21 (1)
Weight, g/mol:	269.098043
ΔH_f, kcal/mol:	-126.15
Dipole, Da:	3.0
IP(EA), eV:	-9.66(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 1-(1-hydroxy(213C)ethyl)-4-methyl-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)(C)S(=O)(=O)N1[C@@H]2C1[C@@H](CCC2)OC

DOS

IR

Vibrations