Geometry & MOs

Info

ID:

403782

PubChem CID:

135061797

Reduced:

SN2O4H16C25 (1)

Stoich.:

AB2C4D16E25 (1)

Weight, g/mol:

649.968123

ΔHf, kcal/mol:

-27.03

Dipole, Da:

4.34

IP(EA), eV:

 -8.68(-1.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-2-(4,6-dichloropyrrolo[3,2-c]pyridin-1-yl)-3-methyloxolan-3-ol

Drug info:

PubChemData

Smile

C1CC2=C(C3=C(N2S(=O)(=O)C4=CC=CC=C4)N=CC=C3)C5=C1C(=O)C6=CC=CC=C6C5=O

DOS

IR

Vibrations