Geometry & MOs

Info

ID:	189528
PubChem CID:	77868176
Reduced:	ClSN3H6C8 (1)
Stoich.:	ABC3D6E8 (1)
Weight, g/mol:	416.138365
ΔH_f, kcal/mol:	85.49
Dipole, Da:	7.13
IP(EA), eV:	-8.65(-2.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-cyano-3-(fluoromethyl)phenyl]-4,7-dimethyl-1,3-dioxo-3a,5,6,7a-tetrahydro-4,7-epoxyisoindol-5-yl] ethyl carbonate

Drug info:

PubChemData

Smile

C1=CC2=NC(=S)N=C(C2=CC1Cl)N

DOS

IR

Vibrations