Geometry & MOs

Info

ID:	65703
PubChem CID:	46386769
Reduced:	FO3N4H19C22 (1)
Stoich.:	AB3C4D19E22 (1)
Weight, g/mol:	398.074595
ΔH_f, kcal/mol:	-68.43
Dipole, Da:	7.34
IP(EA), eV:	-8.39(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations