Geometry & MOs

Info

ID:	65689
PubChem CID:	46386754
Reduced:	ClO3N4H19C22 (1)
Stoich.:	AB3C4D19E22 (1)
Weight, g/mol:	422.114568
ΔH_f, kcal/mol:	-25.0
Dipole, Da:	4.19
IP(EA), eV:	-8.09(-0.86)
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-(2,5-dimethoxyphenyl)urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations