Geometry & MOs

Info

ID:	214444
PubChem CID:	85083046
Reduced:	SO4N6C26H42 (1)
Stoich.:	AB4C6D26E42 (1)
Weight, g/mol:	534.287362
ΔH_f, kcal/mol:	-192.48
Dipole, Da:	5.25
IP(EA), eV:	-9.12(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[1-(oxan-2-yl)-7-(oxan-2-yloxy)pyrazolo[4,3-d]pyrimidin-3-yl]oxolan-3-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(=NCCCC(C(=O)N2CCCC2C(=O)NC3CCCCC3)N)N)C

DOS

IR

Vibrations