Geometry & MOs

Info

ID:

329169

PubChem CID:

126731481

Reduced:

SO3F4N5H19C23 (1)

Stoich.:

AB3C4D5E19F23 (1)

Weight, g/mol:

467.048224

ΔHf, kcal/mol:

-201.73

Dipole, Da:

6.02

IP(EA), eV:

 -8.5(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-[3-[(2,5-difluorocyclohexa-1,5-dien-1-yl)sulfanylamino]-2,6-difluorophenyl]methanone

Drug info:

PubChemData

Smile

CC(C)NC1=NC=NC2=C1C(=CN2)C(=O)C3=C(C=CC(=C3F)NS(=O)C4=CC=C(C=C4)OC(F)F)F

DOS

IR

Vibrations