Geometry & MOs

Info

ID:	435458
PubChem CID:	135191507
Reduced:	Cl2F3O3N5H22C23 (1)
Stoich.:	A2B3C3D5E22F23 (1)
Weight, g/mol:	413.118712
ΔH_f, kcal/mol:	-238.63
Dipole, Da:	10.4
IP(EA), eV:	-9.52(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (5Z)-2-(2,4-difluoroanilino)-5-(4,5-dihydro-1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-4-oxofuran-3-carboxylate

Drug info:

PubChemData

Smile

C1CCN(C(C1)CNC(=O)C2=CC(=CC(=C2)Cl)Cl)C(=O)NC3=CC=C(C=C3)C(=NC(=O)C(F)(F)F)N

DOS

IR

Vibrations