Geometry & MOs

Info

ID:

47175

PubChem CID:

10530257

Reduced:

N2O6C10H21 (2)

Stoich.:

A2B6C10D21 (2)

Weight, g/mol:

532.239579

ΔHf, kcal/mol:

-581.51

Dipole, Da:

6.64

IP(EA), eV:

 -9.62(0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(3,4-dimethoxyphenyl)-7-(5-hydroxy-6-methoxy-1,3-dihydroisoindol-2-yl)-2-(4-methylphenyl)sulfanylheptanenitrile

Drug info:

PubChemData

Smile

C(CCCNC(=O)NC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)CCNC(=O)NC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O

DOS

IR

Vibrations