Geometry & MOs

Info

ID:

334717

PubChem CID:

127253392

Reduced:

N4O4C21H26 (1)

Stoich.:

A4B4C21D26 (1)

Weight, g/mol:

703.204505

ΔHf, kcal/mol:

-64.96

Dipole, Da:

13.8

IP(EA), eV:

 -8.66(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,8'R)-7-chloro-4,6-dimethoxy-5'-[3-methoxy-4-[(1-methylimidazol-2-yl)methoxy]phenyl]-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

C1[C@@H]2CN(C[C@H]1C3=CC=C(C(=O)N3C2)[N+](=O)[O-])C(=O)CCCCCN4C=CC=C4

DOS

IR

Vibrations