Geometry & MOs

Info

ID:	393811
PubChem CID:	135021726
Reduced:	OCl2N3H7C9 (1)
Stoich.:	AB2C3D7E9 (1)
Weight, g/mol:	313.098394
ΔH_f, kcal/mol:	29.13
Dipole, Da:	2.54
IP(EA), eV:	-9.76(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[3-(2-methylprop-1-enyl)pyridin-2-yl]-2-methylsulfonyloxyacetate

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](C2=C1C(=CC(=C2)Cl)Cl)N=[N+]=[N-])O

DOS

IR

Vibrations