Geometry & MOs

Info

ID:	65699
PubChem CID:	46386765
Reduced:	ClO3N4H17C22 (1)
Stoich.:	AB3C4D17E22 (1)
Weight, g/mol:	406.119654
ΔH_f, kcal/mol:	-34.76
Dipole, Da:	9.05
IP(EA), eV:	-8.63(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)NC(=O)NC2=C(NC3=C2C=C(C=C3)Cl)C4=CN=CC=C4

DOS

IR

Vibrations