Geometry & MOs

Info

ID:

335083

PubChem CID:

127253889

Reduced:

N2O3C9H10 (2)

Stoich.:

A2B3C9D10 (2)

Weight, g/mol:

673.146322

ΔHf, kcal/mol:

-93.95

Dipole, Da:

7.86

IP(EA), eV:

 -9.88(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-[(2S,8'R)-7-chloro-4,6-dimethoxy-1',3',8'-trimethyl-2',3,4',6'-tetraoxospiro[1-benzofuran-2,7'-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline]-5'-yl]furan-2-yl]benzoic acid

Drug info:

PubChemData

Smile

COC1=NOC(=C1)CCC(=O)N2CC3CC(C2)C4=CC=C(C(=O)N4C3)[N+](=O)[O-]

DOS

IR

Vibrations