Geometry & MOs

Info

ID:	169899
PubChem CID:	75164580
Reduced:	N5O7C8H13 (1)
Stoich.:	A5B7C8D13 (1)
Weight, g/mol:	342.048149
ΔH_f, kcal/mol:	-202.0
Dipole, Da:	2.53
IP(EA), eV:	-10.54(-1.15)
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;sulfuric acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations