Geometry & MOs

Info

ID:	65707
PubChem CID:	46386773
Reduced:	BrFON4H14C20 (1)
Stoich.:	ABCD4E14F20 (1)
Weight, g/mol:	390.149204
ΔH_f, kcal/mol:	11.81
Dipole, Da:	3.4
IP(EA), eV:	-8.54(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC(=O)NC2=C(NC3=C2C=C(C=C3)F)C4=CN=CC=C4)Br

DOS

IR

Vibrations