Geometry & MOs

Info

ID:	369189
PubChem CID:	127331491
Reduced:	SO2N3C17H25 (1)
Stoich.:	AB2C3D17E25 (1)
Weight, g/mol:	391.221954
ΔH_f, kcal/mol:	-60.77
Dipole, Da:	5.28
IP(EA), eV:	-9.06(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-tert-butyloxan-3-yl)methyl]-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)(C)C1C(CCCO1)CNC(=O)CC2=CN3C=CSC3=N2

DOS

IR

Vibrations