Geometry & MOs

Info

ID:	131808
PubChem CID:	51263381
Reduced:	ClFSN2O3H10C13 (1)
Stoich.:	ABCD2E3F10G13 (1)
Weight, g/mol:	338.149124
ΔH_f, kcal/mol:	-121.99
Dipole, Da:	3.43
IP(EA), eV:	-9.24(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-nitro-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)N)S(=O)(=O)NC2=C(C=CC(=C2)Cl)F

DOS

IR

Vibrations