Geometry & MOs

Info

ID:	132863
PubChem CID:	51433699
Reduced:	ClON2H22C24 (1)
Stoich.:	ABC2D22E24 (1)
Weight, g/mol:	457.098194
ΔH_f, kcal/mol:	66.25
Dipole, Da:	8.25
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.360894
Charge, e:	-1

Chem-info

IUPAC name:

(2,6-dimethoxypyrimidin-4-yl)-[4-[[(Z)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]amino]phenyl]sulfonylazanide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=C2C[NH2+]CC3=CC=CC=N3)OCC4=CC=CC=C4Cl

DOS

IR

Vibrations