Geometry & MOs

Info

ID:	65705
PubChem CID:	46386771
Reduced:	FO2N4H17C21 (1)
Stoich.:	AB2C4D17E21 (1)
Weight, g/mol:	440.105146
ΔH_f, kcal/mol:	-25.28
Dipole, Da:	6.28
IP(EA), eV:	-8.31(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations