Geometry & MOs

Info

ID:

334625

PubChem CID:

127253300

Reduced:

O3N4H22C27 (1)

Stoich.:

A3B4C22D27 (1)

Weight, g/mol:

453.15543

ΔHf, kcal/mol:

-37.27

Dipole, Da:

5.66

IP(EA), eV:

 -8.1(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-3'-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-4,6-dimethoxy-5'-methylspiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

CC(=O)N1CC2=C(C1=O)C(C3=CN(C4=CC=CC(=C43)N2)C)C5=CC6=C7C(=CC=C6)CCN7C5=O

DOS

IR

Vibrations