Geometry & MOs

Info

ID:

444254

PubChem CID:

135261864

Reduced:

NOC8H9 (5)

Stoich.:

ABC8D9 (5)

Weight, g/mol:

612.12936

ΔHf, kcal/mol:

-124.07

Dipole, Da:

5.09

IP(EA), eV:

 -8.66(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(4-bromophenyl)-3-[4-[2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]ethoxy]phenoxy]-1-benzothiophen-6-ol

Drug info:

PubChemData

Smile

C1CC2=C(C=CC(=C2)O)[C@H]([C@H]1C3=CC=CC=C3)C4=CC=C(C=C4)OCCCCCN5CCN(CC5)C6=CC(=O)N(N=C6)C7CCC(=O)NC7=O

DOS

IR

Vibrations