Geometry & MOs

Info

ID:	80485
PubChem CID:	49834696
Reduced:	Cl2O3N5H25C29 (1)
Stoich.:	A2B3C5D25E29 (1)
Weight, g/mol:	571.179044
ΔH_f, kcal/mol:	3.66
Dipole, Da:	7.76
IP(EA), eV:	-8.77(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2-benzyl-3H-benzimidazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-N-(3-methylsulfonylphenyl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1CN(C(C2=C1C3=C(N2)C=CC(=C3)Cl)C4=CC=C(C=C4)OCCCN5C=CN=N5)C(=O)OC6=CC=C(C=C6)Cl

DOS

IR

Vibrations