Geometry & MOs

Info

ID:	439569
PubChem CID:	135229345
Reduced:	F2O2N3H13C19 (1)
Stoich.:	A2B2C3D13E19 (1)
Weight, g/mol:	444.186064
ΔH_f, kcal/mol:	-79.75
Dipole, Da:	8.29
IP(EA), eV:	-8.89(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-[3-(2-fluoroethoxy)phenyl]-2-[5-fluoro-1-(2-hydroxyethyl)-2-methyl-2,3-dihydroindol-3-yl]-N-methyl-4-oxobut-2-enamide

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C2=C(C(=O)NC2=O)C3=CN(C4=C3C=C(C=C4)F)CCF

DOS

IR

Vibrations