Geometry & MOs

Info

ID:

323626

PubChem CID:

126675614

Reduced:

F2O4N5H25C29 (1)

Stoich.:

A2B4C5D25E29 (1)

Weight, g/mol:

527.134877

ΔHf, kcal/mol:

-135.24

Dipole, Da:

2.41

IP(EA), eV:

 -9.6(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4-methyl-1-oxopentan-2-yl]-3-fluoro-6-(4-methylsulfonylphenyl)-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CC1(C#N)NC(=O)C2(CCC(CC2)(F)F)NC(=O)C3=CC4=C(O3)C=C(C=C4)C5=CC=C(C=C5)C6=NCC(=O)N6

DOS

IR

Vibrations