Geometry & MOs

Info

ID:

334592

PubChem CID:

127253267

Reduced:

NO3H10C11 (2)

Stoich.:

AB3C10D11 (2)

Weight, g/mol:

623.167057

ΔHf, kcal/mol:

-148.87

Dipole, Da:

7.82

IP(EA), eV:

 -8.25(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,8'R)-7-chloro-5'-(2,4-dimethoxyphenyl)-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

COC1=C(C2=C(C=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)NC(=O)CCCO)OC

DOS

IR

Vibrations