Geometry & MOs

Info

ID:	306991
PubChem CID:	125264580
Reduced:	SO3N4C20H22 (1)
Stoich.:	AB3C4D20E22 (1)
Weight, g/mol:	185.015603
ΔH_f, kcal/mol:	-23.39
Dipole, Da:	0.96
IP(EA), eV:	-9.55(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-4-fluoro-2H-pyrrolo[2,3-b]pyridin-3-amine

Drug info:

PubChemData

Smile

C=CCN1[C@H](N=C2C3=CC=CC=C3N=C2C1=O)SCC(=O)NC[C@H]4CCCO4

DOS

IR

Vibrations