Geometry & MOs

Info

ID:

431424

PubChem CID:

135171499

Reduced:

ClO3N5C34H36 (1)

Stoich.:

AB3C5D34E36 (1)

Weight, g/mol:

593.13317

ΔHf, kcal/mol:

-48.05

Dipole, Da:

3.94

IP(EA), eV:

 -8.76(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-chloro-2-(6-chloro-4-oxo-1H-quinazolin-2-yl)phenyl] 2-[[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CCCCN1CC2=CN=C(C=C2C)C(=O)NC3=CC=CC(=C3Cl)C4=C(C(=CC=C4)NC(=O)C5=NC=CC(=C5)OC)C

DOS

IR

Vibrations