Geometry & MOs

Info

ID:	380314
PubChem CID:	134970724
Reduced:	NSCl3O6C25H28 (1)
Stoich.:	ABC3D6E25F28 (1)
Weight, g/mol:	619.096507
ΔH_f, kcal/mol:	-234.34
Dipole, Da:	3.97
IP(EA), eV:	-8.86(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,6R)-5-ethylsulfanyl-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-(2,2,2-trichloroethoxycarbonylamino)oxan-3-yl] acetate

Drug info:

PubChemData

Smile

CCSC1[C@@H](OC2COC(O[C@H]2C1OCC3=CC=CC=C3)C4=CC=CC=C4)NC(=O)OCC(Cl)(Cl)Cl

DOS

IR

Vibrations