Geometry & MOs

Info

ID:	176637
PubChem CID:	76076114
Reduced:	NO3C26H27 (1)
Stoich.:	AB3C26D27 (1)
Weight, g/mol:	338.104876
ΔH_f, kcal/mol:	-69.44
Dipole, Da:	5.56
IP(EA), eV:	-8.55(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[butanoyloxy-(6-sulfanylidene-5,9-dihydropurin-8-yl)methyl] butanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(CCC2C(N(C2=O)C3=CC=CC=C3C)C4=CC=C(C=C4)O)O

DOS

IR

Vibrations