Geometry & MOs

Info

ID:	169897
PubChem CID:	75164510
Reduced:	PN4C8O9H15 (1)
Stoich.:	AB4C8D9E15 (1)
Weight, g/mol:	362.107378
ΔH_f, kcal/mol:	-432.41
Dipole, Da:	1.3
IP(EA), eV:	-10.53(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one;butanedioic acid

Drug info:

PubChemData

Smile

C1=NC(=NC(=O)N1C2C(C(C(O2)CO)O)O)N.OP(=O)(O)O

DOS

IR

Vibrations