Geometry & MOs

Info

ID:

179910

PubChem CID:

76554036

Reduced:

N8O9C35H36 (1)

Stoich.:

A8B9C35D36 (1)

Weight, g/mol:

535.109246

ΔHf, kcal/mol:

-191.43

Dipole, Da:

9.59

IP(EA), eV:

 -9.33(-1.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-N-[1-carbamoyl-5-(2-hydroxyethoxy)indol-3-yl]-2-N-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazolidine-2,3-dicarboxamide

Drug info:

PubChemData

Smile

CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=C(C=CC(=C5)OC(=O)N6CCN(CC6)C7=NC=C(C=N7)C(=O)NO)N=C4C3=C2)C=NOC(C)(C)C)O

DOS

IR

Vibrations