Geometry & MOs

Info

ID:	310000
PubChem CID:	126572607
Reduced:	PN5O6C17H17 (1)
Stoich.:	AB5C6D17E17 (1)
Weight, g/mol:	1359.470494
ΔH_f, kcal/mol:	-166.43
Dipole, Da:	7.19
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.762113
Charge, e:	1

Chem-info

IUPAC name:

bis[[(2R,3R,5S)-2-(6-benzamidopurin-9-yl)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-3-yl]oxy]-oxophosphanium

Drug info:

PubChemData

Smile

C1[C@H](O[C@H]([C@@H]1O[P+](=O)O)N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)CO

DOS

IR

Vibrations