Geometry & MOs

Info

ID:	377877
PubChem CID:	134223942
Reduced:	ClF2O2N4H15C21 (1)
Stoich.:	AB2C2D4E15F21 (1)
Weight, g/mol:	409.110566
ΔH_f, kcal/mol:	-72.47
Dipole, Da:	6.12
IP(EA), eV:	-8.96(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-amino-3-(3-chloro-4-fluoroanilino)-1H-pyrrolo[2,3-c]pyridin-7-yl]-N-methylbenzamide

Drug info:

PubChemData

Smile

CNC(=O)C1=CC=CC(=C1)C2=C3C(=CC(=N2)F)C(=C(O3)N)NC4=CC(=C(C=C4)F)Cl

DOS

IR

Vibrations