Geometry & MOs

Info

ID:	353631
PubChem CID:	127285208
Reduced:	N3O3C23H27 (1)
Stoich.:	A3B3C23D27 (1)
Weight, g/mol:	265.099731
ΔH_f, kcal/mol:	-84.75
Dipole, Da:	2.84
IP(EA), eV:	-8.6(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(9-ethylpurin-6-yl)-1,4-thiazinane 1-oxide

Drug info:

PubChemData

Smile

CC1C(=O)NC2=CC=CC(=C2O1)C(=O)N3CCN(C(C3)(C)C)CC4=CC=CC=C4

DOS

IR

Vibrations