Geometry & MOs

Info

ID:

446865

PubChem CID:

135278354

Reduced:

BrSO6H35C36 (1)

Stoich.:

ABC6D35E36 (1)

Weight, g/mol:

650.14501

ΔHf, kcal/mol:

-122.91

Dipole, Da:

7.16

IP(EA), eV:

 -8.37(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 3-[4-[4-[[2-(4-bromophenyl)-6-hydroxy-1-benzothiophen-3-yl]oxy]phenoxy]piperidin-1-yl]azetidine-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC3=C(C=C2)C(=C(S3)C4=CC=C(C=C4)Br)OC5=CC=C(C=C5)OCCCOCCCOCCC=O

DOS

IR

Vibrations