Geometry & MOs

Info

ID:	65742
PubChem CID:	46386815
Reduced:	ClFON4H16C21 (1)
Stoich.:	ABCD4E16F21 (1)
Weight, g/mol:	408.08116
ΔH_f, kcal/mol:	0.27
Dipole, Da:	3.26
IP(EA), eV:	-8.46(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CNC(=O)NC2=C(NC3=C2C=C(C=C3)Cl)C4=CC=NC=C4)F

DOS

IR

Vibrations