Geometry & MOs

Info

ID:	433333
PubChem CID:	135173470
Reduced:	BrN4O4C32H37 (1)
Stoich.:	AB4C4D32E37 (1)
Weight, g/mol:	485.99729
ΔH_f, kcal/mol:	-83.21
Dipole, Da:	3.06
IP(EA), eV:	-8.26(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-3-fluoropyrrolidine-1-sulfinamide

Drug info:

PubChemData

Smile

CCOC1=CC(C2=C3C1(C4=NC(C(N4C(=O)N3CCN2CCO)C5=CC=C(C=C5)C)C6=CC=C(C=C6)Br)C)(C)OC

DOS

IR

Vibrations