Geometry & MOs

Info

ID:	65684
PubChem CID:	46386749
Reduced:	SO3N4H22C24 (1)
Stoich.:	AB3C4D22E24 (1)
Weight, g/mol:	392.104003
ΔH_f, kcal/mol:	-41.76
Dipole, Da:	3.37
IP(EA), eV:	-8.5(-0.73)
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-(3-methoxyphenyl)urea

Drug info:

PubChemData

Smile

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)NC3=C(NC4=CC=CC=C43)C5=CN=CC=C5

DOS

IR

Vibrations