Geometry & MOs

Info

ID:

84500

PubChem CID:

49866983

Reduced:

ClN5O7C26H38 (1)

Stoich.:

AB5C7D26E38 (1)

Weight, g/mol:

745.154359

ΔHf, kcal/mol:

-320.74

Dipole, Da:

10.78

IP(EA), eV:

 -9.53(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-amino-6-[1-[(2R,3R,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]sulfanylethylideneamino]hexanoic acid

Drug info:

PubChemData

Smile

C[C@@H](C(=O)CCl)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C

DOS

IR

Vibrations