Geometry & MOs

Info

ID:	65748
PubChem CID:	46386822
Reduced:	ClFO3N4H18C22 (1)
Stoich.:	ABC3D4E18F22 (1)
Weight, g/mol:	424.0335
ΔH_f, kcal/mol:	-72.64
Dipole, Da:	6.42
IP(EA), eV:	-8.32(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromophenyl)-3-(5-fluoro-2-pyridin-4-yl-1H-indol-3-yl)urea

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1NC(=O)NC2=C(NC3=C2C=C(C=C3)F)C4=CC=NC=C4)Cl)OC

DOS

IR

Vibrations