Geometry & MOs

Info

ID:

334837

PubChem CID:

127253643

Reduced:

ClNO8H24C31 (1)

Stoich.:

ABC8D24E31 (1)

Weight, g/mol:

647.01286

ΔHf, kcal/mol:

-214.98

Dipole, Da:

4.01

IP(EA), eV:

 -8.62(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,8'R)-5'-(5-bromothiophen-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

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NC4=CC=C(C=C4)C5=COC6=C(C5=O)C=CC(=C6)O

DOS

IR

Vibrations