Geometry & MOs

Info

ID:

334662

PubChem CID:

127253337

Reduced:

ClN3O7H24C26 (1)

Stoich.:

AB3C7D24E26 (1)

Weight, g/mol:

574.117665

ΔHf, kcal/mol:

-172.68

Dipole, Da:

8.54

IP(EA), eV:

 -8.73(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,2'Z,5'R)-7-chloro-4,6-dimethoxy-5'-methyl-2'-[[(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)amino]methylidene]spiro[1-benzofuran-2,4'-cyclohexane]-1',3,3'-trione

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NCCC4=NN/C(=C\5/C=CC=CC5=O)/O4

DOS

IR

Vibrations