Geometry & MOs

Info

ID:	387363
PubChem CID:	134985088
Reduced:	NSC6O6F13 (1)
Stoich.:	ABC6D6E13 (1)
Weight, g/mol:	340.101227
ΔH_f, kcal/mol:	-865.04
Dipole, Da:	2.14
IP(EA), eV:	-11.7(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4S,5S)-1-butyl-3-(4-chlorophenyl)-5-methyl-2-sulfanylideneimidazolidine-4-carboxylate

Drug info:

PubChemData

Smile

C1(C(ON1C(C(OS(=O)(=O)F)(F)F)(OC(F)(F)F)F)(F)F)(OC(F)(F)F)F

DOS

IR

Vibrations