Geometry & MOs

Info

ID:	435486
PubChem CID:	135191604
Reduced:	FIN3O4H15C21 (1)
Stoich.:	ABC3D4E15F21 (1)
Weight, g/mol:	363.101919
ΔH_f, kcal/mol:	-81.86
Dipole, Da:	7.99
IP(EA), eV:	-9.04(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-2-(4-fluoro-2-methylanilino)-4-oxo-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)furan-3-carbaldehyde

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)NC2=C(C(=O)/C(=C/C3=CNC4=C3C=CC=N4)/O2)C(=O)OCI

DOS

IR

Vibrations