Geometry & MOs

Info

ID:

299565

PubChem CID:

117687734

Reduced:

SO6N15C45H47 (1)

Stoich.:

AB6C15D45E47 (1)

Weight, g/mol:

759.292258

ΔHf, kcal/mol:

6.55

Dipole, Da:

7.02

IP(EA), eV:

 -8.75(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C(C1=NN2C=C(C=CC2=N1)C3=CC(=C(C=C3)O)OC)C(=O)N.CS(=O)(=O)NC1=CC=CC(=C1)C2=CN3C(=NC(=N3)CC(=O)N)C=C2.C1=CC(=NC=C1C2=CN3C(=NC(=N3)N)C=C2)N

DOS

IR

Vibrations