Geometry & MOs

Info

ID:

334129

PubChem CID:

127252681

Reduced:

N3O4C27H31 (1)

Stoich.:

A3B4C27D31 (1)

Weight, g/mol:

644.167392

ΔHf, kcal/mol:

-108.27

Dipole, Da:

4.03

IP(EA), eV:

 -8.08(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,8'R)-7-chloro-4,6-dimethoxy-1',3',8'-trimethyl-5'-(1-methyl-2-oxoquinolin-3-yl)spiro[1-benzofuran-2,7'-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline]-2',3,4',6'-tetrone

Drug info:

PubChemData

Smile

CC(C)N1C=C(C2=CC=CC=C21)CCNC(=O)CN3C=CC4=CC(=C(C=C4CC3=O)OC)OC

DOS

IR

Vibrations