Geometry & MOs

Info

ID:

445994

PubChem CID:

135271134

Reduced:

NSH39C58 (1)

Stoich.:

ABC39D58 (1)

Weight, g/mol:

577.241384

ΔHf, kcal/mol:

233.81

Dipole, Da:

3.05

IP(EA), eV:

 -8.05(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl (2R)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

CC1(C2=C(C3=CC=CC=C31)C(=CC=C2)N(C4=CC=C(C=C4)C5=CC6=C(C=C5)SC7=CC=CC=C76)C8=CC=CC9=C8C1(C2=CC=CC=C92)C2=CC=CC=C2C2=CC=CC=C12)C

DOS

IR

Vibrations