Geometry & MOs

Info

ID:	162418
PubChem CID:	57394607
Reduced:	N2S2O5C17H18 (1)
Stoich.:	A2B2C5D17E18 (1)
Weight, g/mol:	271.068133
ΔH_f, kcal/mol:	-94.79
Dipole, Da:	9.86
IP(EA), eV:	-9.04(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;8-methyl-5-oxido-4-(prop-2-enylamino)pteridine-6,7-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CC=C(S2)S(=O)(=O)N[C@@H]3CC=CCN(C3=O)O

DOS

IR

Vibrations