Geometry & MOs

Info

ID:	44891
PubChem CID:	10506381
Reduced:	ClSN3O5C26H28 (1)
Stoich.:	ABC3D5E26F28 (1)
Weight, g/mol:	530.236327
ΔH_f, kcal/mol:	-148.93
Dipole, Da:	8.56
IP(EA), eV:	-8.51(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,4R,5S,7R,9S,11R)-2,5,7,9-tetraacetyloxy-4,11-dimethyl-6,12-dioxotridecyl] acetate

Drug info:

PubChemData

Smile

CN1C=NC(=C1CCl)SC2=C(C=C(C3=C2C[C@H]4COC(=O)N4[C@H]3CC5=CC=C(C=C5)OC)OC)OC

DOS

IR

Vibrations