Geometry & MOs

Info

ID:	170555
PubChem CID:	75252149
Reduced:	F2O2N7C29H39 (1)
Stoich.:	A2B2C7D29E39 (1)
Weight, g/mol:	510.080291
ΔH_f, kcal/mol:	-76.25
Dipole, Da:	4.73
IP(EA), eV:	-8.47(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[5-(6-benzyl-5-oxo-1H-imidazo[1,2-c]pyrimidin-6-ium-3-yl)-2-chloropyridin-3-yl]-4-fluorobenzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=N1)N2CCC(CC2)C(C)CCOC3=CN=C(N=C3)N4CCC(C(C4)N)C5=C(C=CC(=C5)F)F

DOS

IR

Vibrations