Geometry & MOs

Info

ID:

47219

PubChem CID:

10530724

Reduced:

N3O6C31H41 (1)

Stoich.:

A3B6C31D41 (1)

Weight, g/mol:

551.21303

ΔHf, kcal/mol:

-215.59

Dipole, Da:

0.72

IP(EA), eV:

 -9.54(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-methoxy-2-(4-methoxyphenyl)benzo[e][1]benzothiol-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)[C@H]2CO2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations