Geometry & MOs

Info

ID:

43156

PubChem CID:

10318952

Reduced:

S2O5C19H30 (1)

Stoich.:

A2B5C19D30 (1)

Weight, g/mol:

402.2341

ΔHf, kcal/mol:

-238.94

Dipole, Da:

4.8

IP(EA), eV:

 -8.82(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,3aS,3bS,9aR,9bS,11aS)-9a,11a-dimethyl-1-(thiomorpholine-4-carbonyl)-1,2,3,3a,3b,4,5,8,9,9b,10,11-dodecahydrocyclopenta[i]phenanthridin-7-one

Drug info:

PubChemData

Smile

CCCC[C@@H]([C@H](C)COS(=O)(=O)C1=CC=C(C=C1)C)OC(=O)C(C)SC

DOS

IR

Vibrations