Geometry & MOs

Info

ID:

334093

PubChem CID:

127252645

Reduced:

N4O6C33H42 (1)

Stoich.:

A4B6C33D42 (1)

Weight, g/mol:

445.140449

ΔHf, kcal/mol:

-167.43

Dipole, Da:

5.73

IP(EA), eV:

 -8.58(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-4,6-dimethoxy-5'-methyl-3'-(3-pyrazol-1-ylpropylamino)spiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)NCCN1C=CC=C1)NC2=CC=C3C(=CC2=O)[C@H](CCC4=CC(=C(C(=C43)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations