Geometry & MOs

Info

ID:

299553

PubChem CID:

117687553

Reduced:

ClN3O9C43H48 (1)

Stoich.:

AB3C9D43E48 (1)

Weight, g/mol:

755.341795

ΔHf, kcal/mol:

-120.23

Dipole, Da:

4.8

IP(EA), eV:

 -7.73(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-methoxy-2-[3-methoxy-4-[7-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]phenoxy]heptoxy]phenyl]-2,3-dihydro-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=NOC(=C2)C3=CC(=C(C(=C3)OC)OC)OC)OCCCCCCCCCOC4=C(C=C(C=C4)C5NC6=C(C=C(C=C6)Cl)C(=O)N5)OC

DOS

IR

Vibrations