Geometry & MOs

Info

ID:	191603
PubChem CID:	78167470
Reduced:	NS3O8C15H25 (1)
Stoich.:	AB3C8D15E25 (1)
Weight, g/mol:	346.166826
ΔH_f, kcal/mol:	-341.37
Dipole, Da:	2.08
IP(EA), eV:	-8.44(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(difluoromethoxy)-3-(difluoromethyl)phenyl]-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline

Drug info:

PubChemData

Smile

CC1(OC2C(C(OC2O1)C(CSC(=S)N3CCCC3)OS(=O)(=O)O)OC)C

DOS

IR

Vibrations