Geometry & MOs

Info

ID:

10276

PubChem CID:

99596

Reduced:

ClS2N3O6C18H20 (1)

Stoich.:

AB2C3D6E18F20 (1)

Weight, g/mol:

473.048205

ΔHf, kcal/mol:

-211.45

Dipole, Da:

6.53

IP(EA), eV:

 -8.6(-2.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2R,3S,11R,14R)-6-chloro-2,3-dihydroxy-7,8-dimethoxy-10,14,18-trimethyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-triene-13,17-dione

Drug info:

PubChemData

Smile

C[C@@]12C(=O)N3[C@@H]4[C@]([C@H]([C@]3(C(=O)N1C)SS2)O)(C5=CC(=C(C(=C5N4C)OC)OC)Cl)O

DOS

IR

Vibrations