Geometry & MOs

Info

ID:	84474
PubChem CID:	49866637
Reduced:	PN5O7C10H15 (1)
Stoich.:	AB5C7D10E15 (1)
Weight, g/mol:	459.163133
ΔH_f, kcal/mol:	-298.25
Dipole, Da:	4.65
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.762142
Charge, e:	0

Chem-info

IUPAC name:

N-[(5S)-5-amino-6-oxohexyl]-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phosphonamidic acid

Drug info:

PubChemData

Smile

C1=[N+](C2=NC=NC(=C2N1)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O

DOS

IR

Vibrations