Geometry & MOs

Info

ID:

231351

PubChem CID:

87573529

Reduced:

ClSO2N3H13C18 (1)

Stoich.:

ABC2D3E13F18 (1)

Weight, g/mol:

208.14633

ΔHf, kcal/mol:

6.63

Dipole, Da:

4.03

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.766237

Charge, e:

 0

Chem-info

IUPAC name:

bicyclo[2.2.1]hept-1-ene;2-(prop-2-enoxymethyl)oxirane

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C([N+](=C3N(C2=O)C=CS3)CC4=CN=C(C=C4)Cl)O

DOS

IR

Vibrations