Geometry & MOs

Info

ID:	338582
PubChem CID:	127259593
Reduced:	P2N5C10O11H17 (1)
Stoich.:	A2B5C10D11E17 (1)
Weight, g/mol:	356.110732
ΔH_f, kcal/mol:	-526.02
Dipole, Da:	4.83
IP(EA), eV:	-9.47(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-carboxypentanoyloxycarbonyl)benzoic acid;ethane-1,2-diol

Drug info:

PubChemData

Smile

C1=NC2=C(N=CN(C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)OP(=O)(O)OP(=O)(O)O)N

DOS

IR

Vibrations