Geometry & MOs

Info

ID:

329159

PubChem CID:

126731464

Reduced:

SO2F3N5H20C23 (1)

Stoich.:

AB2C3D5E20F23 (1)

Weight, g/mol:

509.165716

ΔHf, kcal/mol:

-107.52

Dipole, Da:

7.37

IP(EA), eV:

 -8.44(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-(5-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pentan-2-yl]-2,4-difluoro-N-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]aniline

Drug info:

PubChemData

Smile

CC(C)NC1=NC=NC2=C1C(=CN2)C(=O)C3=C(C=CC(=C3F)NSC4=CC(=C(C=C4)OC)F)F

DOS

IR

Vibrations