Geometry & MOs

Info

ID:

335054

PubChem CID:

127253860

Reduced:

N4O4C23H24 (1)

Stoich.:

A4B4C23D24 (1)

Weight, g/mol:

500.171414

ΔHf, kcal/mol:

-45.92

Dipole, Da:

9.73

IP(EA), eV:

 -8.39(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-3'-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]-4,6-dimethoxy-5'-methylspiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

C1[C@@H]2CN(C[C@H]1C3=CC=C(C(=O)N3C2)[N+](=O)[O-])C(=O)CCCC4=CNC5=CC=CC=C54

DOS

IR

Vibrations