Geometry & MOs

Info

ID:	43996
PubChem CID:	10322809
Reduced:	ClS2N5O6C16H20 (1)
Stoich.:	AB2C5D6E16F20 (1)
Weight, g/mol:	398.186852
ΔH_f, kcal/mol:	-143.56
Dipole, Da:	7.18
IP(EA), eV:	-9.57(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(1-ethylpyridin-1-ium-4-yl)-4,5-bis(4-methoxyphenyl)pyrimidine

Drug info:

PubChemData

Smile

CC(=O)OCC1=C(N2[C@@H]([C@H](C2=O)Cl)S(=O)(=O)[C@@H]1SC3=NN=NN3C)C(=O)C(C)(C)C

DOS

IR

Vibrations