Geometry & MOs

Info

ID:

335160

PubChem CID:

127254021

Reduced:

SN5O7C30H35 (1)

Stoich.:

AB5C7D30E35 (1)

Weight, g/mol:

443.149951

ΔHf, kcal/mol:

-115.86

Dipole, Da:

13.01

IP(EA), eV:

 -8.92(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5'R)-3'-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-7-chloro-4,6-dimethoxy-5'-methylspiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=NC(=CS1)CC(=O)NC)NC2=CC=C3C(=CC2=O)[C@H](CCC4=CC(=C(C(=C43)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations