Geometry & MOs

Info

ID:

334886

PubChem CID:

127253692

Reduced:

SN5O7C38H45 (1)

Stoich.:

AB5C7D38E45 (1)

Weight, g/mol:

495.10848

ΔHf, kcal/mol:

-161.04

Dipole, Da:

5.85

IP(EA), eV:

 -8.75(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)NC1=NN=C(S1)CCC2=CC=C(C=C2)OC)NC3=CC=C4C(=CC3=O)[C@H](CCC5=CC(=C(C(=C54)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations