Geometry & MOs

Info

ID:	329263
PubChem CID:	126733468
Reduced:	NC24H51 (1)
Stoich.:	AB24C51 (1)
Weight, g/mol:	364.128172
ΔH_f, kcal/mol:	-106.47
Dipole, Da:	1.3
IP(EA), eV:	-8.06(2.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[2-(propan-2-ylamino)sulfanylethyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCCC(C)(C)CN(CC(C)(C)CCCC)CC(C)(C)CCCC

DOS

IR

Vibrations