Geometry & MOs

Info

ID:

334647

PubChem CID:

127253322

Reduced:

N5O6C33H37 (1)

Stoich.:

A5B6C33D37 (1)

Weight, g/mol:

637.146322

ΔHf, kcal/mol:

-143.43

Dipole, Da:

5.87

IP(EA), eV:

 -8.45(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,8'R)-7-chloro-4,6-dimethoxy-5'-(7-methoxy-1,3-benzodioxol-5-yl)-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

CC1=NC2=C(N1)C=C(C=C2)NC(=O)CCCNC3=CC=C4C(=CC3=O)[C@H](CCC5=CC(=C(C(=C54)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations