Geometry & MOs

Info

ID:	65751
PubChem CID:	46386825
Reduced:	BrFON4H14C20 (1)
Stoich.:	ABCD4E14F20 (1)
Weight, g/mol:	436.154683
ΔH_f, kcal/mol:	15.3
Dipole, Da:	5.33
IP(EA), eV:	-8.68(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC(=O)NC2=C(NC3=C2C=C(C=C3)F)C4=CC=NC=C4)Br

DOS

IR

Vibrations