Geometry & MOs

Info

ID:	446923
PubChem CID:	135278820
Reduced:	O4N6C27H38 (1)
Stoich.:	A4B6C27D38 (1)
Weight, g/mol:	465.093424
ΔH_f, kcal/mol:	-87.26
Dipole, Da:	3.15
IP(EA), eV:	-8.85(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,4-difluorophenoxy)-3-(6-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(2,2,2-trifluoroethylsulfanyl)aniline

Drug info:

PubChemData

Smile

CC1CC(CCN1C2COC2)C3=CC(=C(C=C3C)C=N)NC4=CC(=NC(=N4)OC)N5CCO[C@@H](C5)CO

DOS

IR

Vibrations