Geometry & MOs

Info

ID:	65747
PubChem CID:	46386821
Reduced:	FO3N4H19C22 (1)
Stoich.:	AB3C4D19E22 (1)
Weight, g/mol:	440.105146
ΔH_f, kcal/mol:	-69.56
Dipole, Da:	5.02
IP(EA), eV:	-8.55(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-2,4-dimethoxyphenyl)-3-(5-fluoro-2-pyridin-4-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=CC=NC=C4

DOS

IR

Vibrations