Geometry & MOs

Info

ID:	44694
PubChem CID:	10505427
Reduced:	O2C7H8 (4)
Stoich.:	A2B7C8 (4)
Weight, g/mol:	496.097408
ΔH_f, kcal/mol:	-262.51
Dipole, Da:	4.79
IP(EA), eV:	-8.51(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3S,4R)-2,3,4-triacetyloxy-4-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)butyl] acetate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C/C(=O)OC2CCC(CC2)OC(=O)/C=C/C3=CC(=C(C=C3)OC)OC)OC

DOS

IR

Vibrations