Geometry & MOs

Info

ID:	65718
PubChem CID:	46386785
Reduced:	FO3N4H19C22 (1)
Stoich.:	AB3C4D19E22 (1)
Weight, g/mol:	414.110374
ΔH_f, kcal/mol:	-66.67
Dipole, Da:	3.42
IP(EA), eV:	-8.29(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-fluoro-2-pyridin-3-yl-1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]urea

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)NC(=O)NC2=C(NC3=C2C=C(C=C3)F)C4=CN=CC=C4)OC

DOS

IR

Vibrations