Geometry & MOs

Info

ID:	357210
PubChem CID:	127293714
Reduced:	SN3O3C19H25 (1)
Stoich.:	AB3C3D19E25 (1)
Weight, g/mol:	292.11063
ΔH_f, kcal/mol:	-121.15
Dipole, Da:	6.39
IP(EA), eV:	-8.74(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-aminopurin-9-yl)-1-(1,4-thiazepan-4-yl)ethanone

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)CNC(=O)CCC(=O)N2CCSC3=CC=CC=C32

DOS

IR

Vibrations