Geometry & MOs

Info

ID:

444304

PubChem CID:

135262008

Reduced:

N3O7C26H35 (1)

Stoich.:

A3B7C26D35 (1)

Weight, g/mol:

836.19917

ΔHf, kcal/mol:

-295.86

Dipole, Da:

6.44

IP(EA), eV:

 -8.67(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[8-[2-[4-[2-[4-[[2-(4-bromophenyl)-6-hydroxy-1-benzothiophen-3-yl]oxy]phenoxy]ethyl]piperazin-1-yl]ethylamino]-2-methyl-4-oxoquinazolin-3-yl]piperidine-2,6-dione

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC3=C(C=C2)C(=O)N(CC3=C)C(CCC(=O)OC)C(=O)OC

DOS

IR

Vibrations