Geometry & MOs

Info

ID:	27695
PubChem CID:	823117
Reduced:	ON2C16H22 (1)
Stoich.:	AB2C16D22 (1)
Weight, g/mol:	324.089226
ΔH_f, kcal/mol:	-16.93
Dipole, Da:	2.0
IP(EA), eV:	-8.63(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(3-methyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanylacetate

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C)CCOC2=CC=C(C=C2)C(C)C

DOS

IR

Vibrations