Geometry & MOs

Info

ID:	223519
PubChem CID:	85335163
Reduced:	SN2O3C22H32 (1)
Stoich.:	AB2C3D22E32 (1)
Weight, g/mol:	406.22162
ΔH_f, kcal/mol:	-115.98
Dipole, Da:	5.39
IP(EA), eV:	-8.72(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxy-2-(hydroxymethyl)-4-methyloxolan-3-yl] octanoate

Drug info:

PubChemData

Smile

CC(C)CC1CCCN1CCC(CNS(=O)(=O)C2=CC=CC3=CC=CC=C32)O

DOS

IR

Vibrations