Geometry & MOs

Info

ID:	434444
PubChem CID:	135174930
Reduced:	P2N9O12C21H26 (1)
Stoich.:	A2B9C12D21E26 (1)
Weight, g/mol:	315.073256
ΔH_f, kcal/mol:	-493.0
Dipole, Da:	10.73
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755834
Charge, e:	0

Chem-info

IUPAC name:

[5-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)oxolan-2-yl]methyl dihydrogen phosphate

Drug info:

PubChemData

Smile

C1C(OC(C1OP(=O)(O)OCC2C([C@H](C(O2)N3C=NC4=C3C=CN=C4N)O)O[P+](=O)O)N5C=NC6=C5NC(=NC6=O)N)CO

DOS

IR

Vibrations