Geometry & MOs

Info

ID:

187957

PubChem CID:

77647621

Reduced:

N3O6C24H29 (1)

Stoich.:

A3B6C24D29 (1)

Weight, g/mol:

658.280061

ΔHf, kcal/mol:

-234.82

Dipole, Da:

10.48

IP(EA), eV:

 -8.99(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-3-ethyl-N-[3-hydroxy-1-phenyl-4-[2-[3-(trifluoromethyl)phenyl]propan-2-ylamino]butan-2-yl]-1H-indole-5-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1)N2CCCC2=O)C(=O)NC(CC3=CC=CC=C3)C(CNC(=O)O)O

DOS

IR

Vibrations