Geometry & MOs

Info

ID:

334898

PubChem CID:

127253704

Reduced:

N5O7C37H43 (1)

Stoich.:

A5B7C37D43 (1)

Weight, g/mol:

425.12413

ΔHf, kcal/mol:

-144.98

Dipole, Da:

5.26

IP(EA), eV:

 -8.56(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-3'-[2-(2-hydroxyethoxy)ethylamino]-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)NCC1=NC(=NO1)CC2=CC=CC=C2)NC3=CC=C4C(=CC3=O)[C@H](CCC5=CC(=C(C(=C54)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations