Geometry & MOs

Info

ID:

323634

PubChem CID:

126675626

Reduced:

ON10C21H26 (1)

Stoich.:

AB10C21D26 (1)

Weight, g/mol:

561.154527

ΔHf, kcal/mol:

85.91

Dipole, Da:

3.92

IP(EA), eV:

 -8.35(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN=C/C(=C\N)/CC2=CC(=NC(=C2N)NN)N)C(=O)NCC3=NC=CN3

DOS

IR

Vibrations