Geometry & MOs

Info

ID:

312232

PubChem CID:

126603740

Reduced:

SF2O2N6C39H54 (1)

Stoich.:

AB2C2D6E39F54 (1)

Weight, g/mol:

535.275882

ΔHf, kcal/mol:

-144.42

Dipole, Da:

6.79

IP(EA), eV:

 -8.78(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[[(2R)-1-(2-cyano-2,6-dimethylheptanoyl)pyrrolidin-2-yl]methyl]benzimidazol-2-yl]-3-(difluoromethyl)benzamide

Drug info:

PubChemData

Smile

C[C@@H](C(C)(C)C)NCC1=CC2=C(C=C1)N(C(=N2)NC(=O)C3=CC=C(S3)C(F)F)C[C@H]4CCCN4C(=O)/C(=C/CCCCCCC(C)(C)C)/C#N

DOS

IR

Vibrations