Geometry & MOs

Info

ID:

299554

PubChem CID:

117687554

Reduced:

N3O10C42H49 (1)

Stoich.:

A3B10C42D49 (1)

Weight, g/mol:

755.305409

ΔHf, kcal/mol:

-252.72

Dipole, Da:

4.67

IP(EA), eV:

 -8.28(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC(NC2=O)C3=CC(=C(C=C3)OCCCCCCCOC4=C(C=CC(=C4)C5=NOC(C5)C6=CC(=C(C(=C6)OC)OC)OC)OC)OC

DOS

IR

Vibrations