Geometry & MOs

Info

ID:

434533

PubChem CID:

135175141

Reduced:

ClSF2N3O6C32H42 (1)

Stoich.:

ABC2D3E6F32G42 (1)

Weight, g/mol:

973.379044

ΔHf, kcal/mol:

-374.38

Dipole, Da:

6.23

IP(EA), eV:

 -9.6(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-1-[(2S)-2-[[5-[4-[3-[2,6-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]piperazin-1-yl]-5-oxopentanoyl]amino]-3,3-dimethylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CCN(CC1)C(=O)C(C(C2=CC=C(C=C2)Cl)(F)F)NS(=O)(=O)C3=CC=C(C=C3)OCC4CCCCC4

DOS

IR

Vibrations