Geometry & MOs

Info

ID:	4099
PubChem CID:	10761
Reduced:	ClPSN4O4C12H18 (1)
Stoich.:	ABCD4E4F12G18 (1)
Weight, g/mol:	380.047491
ΔH_f, kcal/mol:	-214.6
Dipole, Da:	3.37
IP(EA), eV:	-8.24(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl dihydrogen phosphate;chloride

Drug info:

PubChemData

Smile

CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)O.[Cl-]

DOS

IR

Vibrations