Geometry & MOs

Info

ID:	384059
PubChem CID:	134976272
Reduced:	NPO5C17H39 (1)
Stoich.:	ABC5D17E39 (1)
Weight, g/mol:	385.078735
ΔH_f, kcal/mol:	-309.39
Dipole, Da:	5.28
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751972
Charge, e:	-2

Chem-info

IUPAC name:

[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl phosphate

Drug info:

PubChemData

Smile

CCCCOCCCCCCCCOP(=O)(O)OCC[N+](C)(C)C

DOS

IR

Vibrations