Geometry & MOs

Info

ID:	439566
PubChem CID:	135229342
Reduced:	ClFN2O2H18C21 (1)
Stoich.:	ABC2D2E18F21 (1)
Weight, g/mol:	396.148535
ΔH_f, kcal/mol:	-59.47
Dipole, Da:	2.57
IP(EA), eV:	-8.34(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-[5-fluoro-1-(2-hydroxyethyl)indol-3-yl]-3-(3-methoxyphenyl)-N-methyl-4-oxobut-2-enamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=C(C(=O)NC2)C3=CN(C4=C3C=C(C=C4)F)CCCl

DOS

IR

Vibrations