Geometry & MOs

Info

ID:	144034
PubChem CID:	53303075
Reduced:	NSO3C16H17 (1)
Stoich.:	ABC3D16E17 (1)
Weight, g/mol:	407.106149
ΔH_f, kcal/mol:	-57.39
Dipole, Da:	3.46
IP(EA), eV:	-8.74(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[5-chloro-3-(3-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]ethyl]-7H-purin-6-amine

Drug info:

PubChemData

Smile

C1CSCCN1C(=O)/C=C/C=C/C2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations