Geometry & MOs

Info

ID:

433342

PubChem CID:

135173479

Reduced:

ON3C17H33 (1)

Stoich.:

AB3C17D33 (1)

Weight, g/mol:

861.31201

ΔHf, kcal/mol:

-80.37

Dipole, Da:

5.04

IP(EA), eV:

 -8.48(0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-1-[2-[4-[4-[3-[3-(butanoylamino)-2,6-difluorobenzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenoxy]butanoylamino]acetyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCN1CCC(CC1)C(=O)N2CCN(CC2)CC(C)C

DOS

IR

Vibrations