Geometry & MOs

Info

ID:	189426
PubChem CID:	77854113
Reduced:	SN4O7C17H28 (1)
Stoich.:	AB4C7D17E28 (1)
Weight, g/mol:	553.257429
ΔH_f, kcal/mol:	-320.85
Dipole, Da:	3.56
IP(EA), eV:	-9.49(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylsulfanyl-9-[2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-amine

Drug info:

PubChemData

Smile

CCS(=O)(=O)NC(CCC(=O)N)C(=O)N1CCCC1C(=O)N2CCCC2C(=O)O

DOS

IR

Vibrations