Geometry & MOs

Info

ID:	65746
PubChem CID:	46386820
Reduced:	ClFO2N4H16C21 (1)
Stoich.:	ABC2D4E16F21 (1)
Weight, g/mol:	406.144119
ΔH_f, kcal/mol:	-34.62
Dipole, Da:	5.81
IP(EA), eV:	-8.46(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations