Geometry & MOs

Info

ID:

299559

PubChem CID:

117687651

Reduced:

N3O10C44H51 (1)

Stoich.:

A3B10C44D51 (1)

Weight, g/mol:

767.341795

ΔHf, kcal/mol:

-247.2

Dipole, Da:

6.02

IP(EA), eV:

 -8.19(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC(NC2=O)C3=CC(=C(C=C3)OCCCCCCCCCOC4=C(C=CC(=C4)C5=NOC(=C5)C6=CC(=C(C(=C6)OC)OC)OC)OC)OC

DOS

IR

Vibrations