Geometry & MOs

Info

ID:	161501
PubChem CID:	57391829
Reduced:	S2N4O4C17H26 (1)
Stoich.:	A2B4C4D17E26 (1)
Weight, g/mol:	406.154209
ΔH_f, kcal/mol:	-103.42
Dipole, Da:	5.4
IP(EA), eV:	-8.59(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-3-(4-pyridin-3-ylphenyl)urea

Drug info:

PubChemData

Smile

CCCCN1C(=NNC1=S)CC2=CC(=C(C=C2S(=O)(=O)N(C)C)OC)OC

DOS

IR

Vibrations