Geometry & MOs

Info

ID:

179343

PubChem CID:

76468874

Reduced:

FSO3N5C24H30 (1)

Stoich.:

ABC3D5E24F30 (1)

Weight, g/mol:

648.355467

ΔHf, kcal/mol:

-98.12

Dipole, Da:

6.22

IP(EA), eV:

 -8.51(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[acetyl(benzyl)amino]-2-[6-chloro-2-[3-[3-(dimethylamino)propyl-methylamino]pyrrolidine-1-carbonyl]-1H-indol-3-yl]-N-cyclohexylacetamide

Drug info:

PubChemData

Smile

C1CC2C(CC1NC(=O)C3CN(CCS3(=O)=O)CC4=CC=CC=C4F)C(NN2)C5=CC=NC=C5

DOS

IR

Vibrations