Geometry & MOs

Info

ID:	178186
PubChem CID:	76291084
Reduced:	O4N5C26H41 (1)
Stoich.:	A4B5C26D41 (1)
Weight, g/mol:	495.104639
ΔH_f, kcal/mol:	-162.07
Dipole, Da:	5.65
IP(EA), eV:	-8.81(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-N-[1-oxo-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]propan-2-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C(C)COC)C)C=C(C#N)C(=O)NCCCN2CCN(CC2)C(=O)OC(C)(C)C

DOS

IR

Vibrations