Geometry & MOs

Info

ID:	442059
PubChem CID:	135248844
Reduced:	NSF2O4C12H15 (1)
Stoich.:	ABC2D4E12F15 (1)
Weight, g/mol:	507.063125
ΔH_f, kcal/mol:	-243.67
Dipole, Da:	6.01
IP(EA), eV:	-9.85(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[5-(2-chloro-4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide

Drug info:

PubChemData

Smile

CCCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)OC)F

DOS

IR

Vibrations