Geometry & MOs

Info

ID:

334677

PubChem CID:

127253352

Reduced:

SN5O6C29H35 (1)

Stoich.:

AB5C6D29E35 (1)

Weight, g/mol:

526.150679

ΔHf, kcal/mol:

-139.17

Dipole, Da:

8.49

IP(EA), eV:

 -8.32(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-4,6-dimethoxy-3'-[2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)ethylamino]-5'-methylspiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)N[C@@H](CCSC)C(=O)NC4=CNN=C4)OC)OC)OC

DOS

IR

Vibrations