Geometry & MOs

Info

ID:	220919
PubChem CID:	85240443
Reduced:	N3O4C14H19 (1)
Stoich.:	A3B4C14D19 (1)
Weight, g/mol:	294.089895
ΔH_f, kcal/mol:	-157.31
Dipole, Da:	5.46
IP(EA), eV:	-8.87(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-1,3-thiazolidin-3-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC2CN(C(=O)NC2=O)COCCO

DOS

IR

Vibrations