Geometry & MOs

Info

ID:	17138
PubChem CID:	485520
Reduced:	PN5O9C10H16 (1)
Stoich.:	AB5C9D10E16 (1)
Weight, g/mol:	381.068564
ΔH_f, kcal/mol:	-341.98
Dipole, Da:	9.06
IP(EA), eV:	-9.23(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)-3H-purin-6-one;phosphonoformic acid

Drug info:

PubChemData

Smile

C1=NC2=C(N1COC(CO)CO)NC(=NC2=O)N.C(=O)(O)P(=O)(O)O

DOS

IR

Vibrations