Geometry & MOs

Info

ID:	230193
PubChem CID:	87570396
Reduced:	ClSN2O2F3C16H18 (1)
Stoich.:	ABC2D2E3F16G18 (1)
Weight, g/mol:	374.131663
ΔH_f, kcal/mol:	-223.43
Dipole, Da:	2.5
IP(EA), eV:	-8.84(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-bicyclo[2.2.1]hept-4-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl] tert-butyl carbonate

Drug info:

PubChemData

Smile

COC(C1=C(C=CC(=C1)C(F)(F)F)Cl)C(=O)N2CCC(CC2)C(=S)N

DOS

IR

Vibrations