Geometry & MOs

Info

ID:

191641

PubChem CID:

78172794

Reduced:

O3C14H18 (2)

Stoich.:

A3B14C18 (2)

Weight, g/mol:

1110.212731

ΔHf, kcal/mol:

-174.13

Dipole, Da:

8.06

IP(EA), eV:

 -9.72(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 2-[4-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-2-methylpropanethioate

Drug info:

PubChemData

Smile

CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(CCC4C3CC5C6(C4(C(=O)C=CC6O)C)O5)C)C=O

DOS

IR

Vibrations