Geometry & MOs

Info

ID:	397560
PubChem CID:	135030386
Reduced:	OC30H32 (1)
Stoich.:	AB30C32 (1)
Weight, g/mol:	604.17739
ΔH_f, kcal/mol:	17.78
Dipole, Da:	3.49
IP(EA), eV:	-9.17(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-2-[(2,3-dihydroxy-4-sulfanylbutyl)sulfanyl-(1H-indol-3-yl)methyl]butanoic acid

Drug info:

PubChemData

Smile

CC12C3C4CCC(C4)C3C(C5C1C6CCC5C6)(C7=CC=CC=C27)C(=O)C8=CC=CC=C8

DOS

IR

Vibrations