Geometry & MOs

Info

ID:

299558

PubChem CID:

117687621

Reduced:

N3O10C39H41 (1)

Stoich.:

A3B10C39D41 (1)

Weight, g/mol:

781.357445

ΔHf, kcal/mol:

-220.85

Dipole, Da:

5.02

IP(EA), eV:

 -8.34(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-methoxy-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=CC2=C(C=C1)NC(NC2=O)C3=CC(=C(C=C3)OCCCCOC4=C(C=CC(=C4)C5=NOC(=C5)C6=CC(=C(C(=C6)OC)OC)OC)OC)OC

DOS

IR

Vibrations