Geometry & MOs

Info

ID:

146883

PubChem CID:

53765461

Reduced:

S3O7C31H36 (1)

Stoich.:

A3B7C31D36 (1)

Weight, g/mol:

893.2702

ΔHf, kcal/mol:

-252.11

Dipole, Da:

3.39

IP(EA), eV:

 -8.76(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[8,9-dibromo-5-(dipyridin-4-ylmethyl)-5-(3-pyridin-4-ylpropyl)-4-(3-quinolin-8-yloxypropyl)nonoxy]-N,N-dimethylaniline

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1OS(=O)(=O)C2=CC=CS2)C(C)(C)C)SC3C(=O)CC(OC3=O)(CCC4=CC=C(C=C4)O)C(C)C

DOS

IR

Vibrations