Geometry & MOs

Info

ID:	121959
PubChem CID:	50787758
Reduced:	SO2N6C23H24 (1)
Stoich.:	AB2C6D23E24 (1)
Weight, g/mol:	419.151288
ΔH_f, kcal/mol:	23.71
Dipole, Da:	4.25
IP(EA), eV:	-8.86(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-benzylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(3-chloro-4-methylphenyl)urea

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)CN2C(=O)N3C4=CC=CC=C4N=C(C3=N2)N5CCSCC5

DOS

IR

Vibrations