Geometry & MOs

Info

ID:	433833
PubChem CID:	135173976
Reduced:	ON3C20H41 (1)
Stoich.:	AB3C20D41 (1)
Weight, g/mol:	455.147904
ΔH_f, kcal/mol:	-73.15
Dipole, Da:	1.34
IP(EA), eV:	-8.42(2.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2,4-difluoro-3-[[5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]propane-1-sulfonamide

Drug info:

PubChemData

Smile

CCC(C)(CC(C)(CC)COC)CN1CCN2CCN(CC2C1)C

DOS

IR

Vibrations