Geometry & MOs

Info

ID:	399333
PubChem CID:	135039697
Reduced:	N2H3F6C8 (1)
Stoich.:	A2B3C6D8 (1)
Weight, g/mol:	316.080301
ΔH_f, kcal/mol:	-238.84
Dipole, Da:	0.6
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.769838
Charge, e:	0

Chem-info

IUPAC name:

[(7R,8R)-7-acetyloxy-11-methylidene-1,5-dithiaspiro[5.5]undecan-8-yl] acetate

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1C(F)(F)F)N=[N-])C(F)(F)F

DOS

IR

Vibrations