Geometry & MOs

Info

ID:	404300
PubChem CID:	135065770
Reduced:	OCl3F3H10C11 (1)
Stoich.:	AB3C3D10E11 (1)
Weight, g/mol:	454.111615
ΔH_f, kcal/mol:	-222.88
Dipole, Da:	2.1
IP(EA), eV:	-9.26(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4S,5R)-1-diphenylphosphoryl-5-(furan-2-yl)-4,5-dimethyl-2-sulfanylideneimidazolidine-4-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)Cl)OCCC(CC(F)(F)F)Cl

DOS

IR

Vibrations