Geometry & MOs

Info

ID:	9448
PubChem CID:	89617
Reduced:	SO3N5C14H19 (1)
Stoich.:	AB3C5D14E19 (1)
Weight, g/mol:	337.120861
ΔH_f, kcal/mol:	-75.86
Dipole, Da:	6.68
IP(EA), eV:	-9.13(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]acetate

Drug info:

PubChemData

Smile

CCOC(=O)CNC(=O)CCCCSC1=NC=NC2=C1NC=N2

DOS

IR

Vibrations