Geometry & MOs

Info

ID:	65768
PubChem CID:	46386844
Reduced:	ClFON4H16C21 (1)
Stoich.:	ABCD4E16F21 (1)
Weight, g/mol:	406.119654
ΔH_f, kcal/mol:	-5.1
Dipole, Da:	3.56
IP(EA), eV:	-8.56(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(7-chloro-2-pyridin-4-yl-1H-indol-3-yl)-3-(2-methoxy-5-methylphenyl)urea

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)NC2=C(NC3=C2C=CC=C3Cl)C4=CC=NC=C4)F

DOS

IR

Vibrations