Geometry & MOs

Info

ID:	143606
PubChem CID:	53234899
Reduced:	SO3N5H21C22 (1)
Stoich.:	AB3C5D21E22 (1)
Weight, g/mol:	450.180424
ΔH_f, kcal/mol:	28.23
Dipole, Da:	5.49
IP(EA), eV:	-8.29(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-3-phenylurea

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC2=NN3C=C(C=CC3=N2)C4=CC(=CC=C4)NS(=O)(=O)C5CC5

DOS

IR

Vibrations