Geometry & MOs

Info

ID:

302393

PubChem CID:

124361569

Reduced:

SN4O4C23H28 (1)

Stoich.:

AB4C4D23E28 (1)

Weight, g/mol:

356.209993

ΔHf, kcal/mol:

-129.53

Dipole, Da:

4.22

IP(EA), eV:

 -8.98(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,3aS,4aR,5R,8aR,9aR)-8a-methyl-3-[(pyridin-4-ylmethylamino)methyl]spiro[3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-5,2'-oxirane]-2-one

Drug info:

PubChemData

Smile

C1CCC(CC1)N2C(=CC(=O)N=C2SCC(=O)N3C[C@H]4C[C@@H](C3)C5=CC=CC(=O)N5C4)O

DOS

IR

Vibrations