Geometry & MOs

Info

ID:

335085

PubChem CID:

127253891

Reduced:

N5O6C40H49 (1)

Stoich.:

A5B6C40D49 (1)

Weight, g/mol:

471.10848

ΔHf, kcal/mol:

-158.67

Dipole, Da:

5.74

IP(EA), eV:

 -8.61(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5'R)-3'-(1,3-benzodioxol-5-ylmethylamino)-7-chloro-4,6-dimethoxy-5'-methylspiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)N1CCCCC1C2=NC3=CC=CC=C3N2C)NC4=CC=C5C(=CC4=O)[C@H](CCC6=CC(=C(C(=C65)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations