Geometry & MOs

Info

ID:

299560

PubChem CID:

117687673

Reduced:

N3O10C43H49 (1)

Stoich.:

A3B10C43D49 (1)

Weight, g/mol:

760.312659

ΔHf, kcal/mol:

-245.02

Dipole, Da:

9.75

IP(EA), eV:

 -8.44(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-chloro-2-[4-[8-[2,6-dimethoxy-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]octoxy]-3-methoxyphenyl]-2,3-dihydro-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC(NC2=O)C3=CC(=C(C=C3)OCCCCCCCOC4=C(C=C(C=C4OC)C5=NOC(=C5)C6=CC(=C(C(=C6)OC)OC)OC)OC)OC

DOS

IR

Vibrations