Geometry & MOs

Info

ID:	228454
PubChem CID:	87564565
Reduced:	PSC2O5H6 (1)
Stoich.:	ABC2D5E6 (1)
Weight, g/mol:	347.148121
ΔH_f, kcal/mol:	-225.49
Dipole, Da:	6.62
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.762049
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-5-methyl-4-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]pyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

CO[P+](=O)OS(=O)(=O)C

DOS

IR

Vibrations