Geometry & MOs

Info

ID:

215123

PubChem CID:

85084191

Reduced:

NO12C37H57 (1)

Stoich.:

AB12C37D57 (1)

Weight, g/mol:

707.113897

ΔHf, kcal/mol:

-540.47

Dipole, Da:

3.34

IP(EA), eV:

 -8.86(0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[3-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1H-indol-7-yl]oxy]-N-methylsulfonylacetamide;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CCC1C(C2C(O2)(C=CC(=O)C3(CC(CC3OC(=O)C)C(C(C(CC(=O)O1)OC(=O)C)C)OC4C(C(CC(O4)C)N(C)C)OC(=O)C)C)C)C

DOS

IR

Vibrations