Geometry & MOs

Info

ID:

190927

PubChem CID:

78076925

Reduced:

SN5O6C36H41 (1)

Stoich.:

AB5C6D36E41 (1)

Weight, g/mol:

671.392405

ΔHf, kcal/mol:

-199.47

Dipole, Da:

9.88

IP(EA), eV:

 -9.02(-1.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-3-[4-[[5-[(6-aminopurin-9-yl)methyl]-2-oxo-1,4,2lambda5-dioxaphosphinan-2-yl]oxy]phenyl]-N-hexadecylpropanamide

Drug info:

PubChemData

Smile

CC12CC3CC(C1)CC(C3)(C2)C(=O)N4CCN(CC4)C5CC(=O)NC(=O)N5CC6=CC=C(C=C6)OS(=O)(=O)C7=CC=CC8=C7C=CN=C8

DOS

IR

Vibrations