Geometry & MOs

Info

ID:	378132
PubChem CID:	134224206
Reduced:	FNCl2O3H18C23 (1)
Stoich.:	ABC2D3E18F23 (1)
Weight, g/mol:	485.096077
ΔH_f, kcal/mol:	-99.66
Dipole, Da:	3.68
IP(EA), eV:	-8.53(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 4-[3-(2,6-dichlorobenzoyl)indol-1-yl]-5-fluorocyclohexa-2,4-diene-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=C(C=C1)NC2=CC=CC=C2C(=C)OC3=C(C=CC=C3Cl)Cl)F

DOS

IR

Vibrations