Geometry & MOs

Info

ID:

334252

PubChem CID:

127252804

Reduced:

NO3C13H13 (2)

Stoich.:

AB3C13D13 (2)

Weight, g/mol:

533.138735

ΔHf, kcal/mol:

-163.96

Dipole, Da:

4.9

IP(EA), eV:

 -8.28(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-3'-[[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-methylsulfanylpropyl]amino]-4,6-dimethoxy-5'-methylspiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=C(O1)C(CC(=O)NCCN2C=CC3=CC=CC=C32)C4=CC(=C(C=C4)O)OC)O

DOS

IR

Vibrations