Geometry & MOs

Info

ID:	446946
PubChem CID:	135279029
Reduced:	SF2O2N3C26H26 (1)
Stoich.:	AB2C2D3E26F26 (1)
Weight, g/mol:	499.129492
ΔH_f, kcal/mol:	-23.62
Dipole, Da:	5.84
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.491008
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(6-cyclopropyl-1-methylphosphanylpyrrolo[2,3-b]pyridin-4-yl)-4-(2,4-difluorophenoxy)phenyl]ethanesulfinamide

Drug info:

PubChemData

Smile

CCSNC1=C(C=C(C(=C1)C2=C3C=CNC3=[N+](C(=C2)C)OC)OC4=C(C=C(C=C4)F)F)C5CC5

DOS

IR

Vibrations