Geometry & MOs

Info

ID:

299552

PubChem CID:

117687545

Reduced:

ClN3O10C44H50 (1)

Stoich.:

AB3C10D44E50 (1)

Weight, g/mol:

785.307908

ΔHf, kcal/mol:

-256.39

Dipole, Da:

9.78

IP(EA), eV:

 -8.58(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-chloro-2-[3-methoxy-4-[9-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]phenoxy]nonoxy]phenyl]-2,3-dihydro-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OCCCCCCCCCOC2=C(C=C(C=C2)C3NC4=C(C=C(C=C4)Cl)C(=O)N3)OC)OC)C5=CC(=NO5)C6=CC(=C(C(=C6)OC)OC)OC

DOS

IR

Vibrations