Geometry & MOs

Info

ID:	125461
PubChem CID:	50925109
Reduced:	NOC19H21 (1)
Stoich.:	ABC19D21 (1)
Weight, g/mol:	395.12161
ΔH_f, kcal/mol:	20.92
Dipole, Da:	1.39
IP(EA), eV:	-8.82(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-amino-1-(3-fluorophenyl)ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1C=C[C@@H](CN1CC2=CC=CC=C2)OCC3=CC=CC=C3

DOS

IR

Vibrations