Geometry & MOs

Info

ID:

334921

PubChem CID:

127253727

Reduced:

ON2C13H13 (2)

Stoich.:

AB2C13D13 (2)

Weight, g/mol:

686.123813

ΔHf, kcal/mol:

-12.15

Dipole, Da:

2.26

IP(EA), eV:

 -9.27(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,8'R)-5'-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-7-chloro-4,6-dimethoxy-1',3',8'-trimethylspiro[1-benzofuran-2,7'-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline]-2',3,4',6'-tetrone

Drug info:

PubChemData

Smile

C1CC2C3CC(CN(C3)C(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=N6)CN2C(=O)C1

DOS

IR

Vibrations