Geometry & MOs

Info

ID:

391982

PubChem CID:

135011614

Reduced:

NCl3O18C80H84 (1)

Stoich.:

AB3C18D80E84 (1)

Weight, g/mol:

600.13075

ΔHf, kcal/mol:

-552.33

Dipole, Da:

9.18

IP(EA), eV:

 -9.19(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[2-(iodomethyl)-4,4-diphenylpyrrolidin-1-yl]-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-2,2-dimethylpropanamide

Drug info:

PubChemData

Smile

CC(=O)OC1[C@H](OC([C@H](C1OCC2=CC=CC=C2)OCC3=CC=CC=C3)COCC4=CC=CC=C4)OCC5[C@H](C(C([C@H](O5)OC(=N)C(Cl)(Cl)Cl)OCC6=CC=CC=C6)O[C@@H]7C(C([C@@H](C(O7)COCC8=CC=CC=C8)OCC9=CC=CC=C9)OCC1=CC=CC=C1)OC(=O)C)OCC1=CC=CC=C1

DOS

IR

Vibrations