Geometry & MOs

Info

ID:

334674

PubChem CID:

127253349

Reduced:

N2O7C24H26 (1)

Stoich.:

A2B7C24D26 (1)

Weight, g/mol:

617.117662

ΔHf, kcal/mol:

-201.67

Dipole, Da:

4.51

IP(EA), eV:

 -8.49(-0.47)

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'-(3,4,5-trifluorophenyl)spiro[1-benzofuran-2,7'-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline]-2',3,4',6'-tetrone

Drug info:

PubChemData

Smile

CN1CCC2=C(C3=C(C(=C2C1=O)OC)OCO3)CNC(=O)/C=C/C4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations