Geometry & MOs

Info

ID:

299555

PubChem CID:

117687560

Reduced:

N3O11C41H45 (1)

Stoich.:

A3B11C41D45 (1)

Weight, g/mol:

723.31558

ΔHf, kcal/mol:

-262.68

Dipole, Da:

7.43

IP(EA), eV:

 -8.27(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC(NC2=O)C3=CC(=C(C=C3)OCCCCCOC4=C(C=C(C=C4OC)C5=CC(=NO5)C6=CC(=C(C(=C6)OC)OC)OC)OC)OC

DOS

IR

Vibrations