Geometry & MOs

Info

ID:	184897
PubChem CID:	77225578
Reduced:	ClSN2O6C31H39 (1)
Stoich.:	ABC2D6E31F39 (1)
Weight, g/mol:	564.306018
ΔH_f, kcal/mol:	-253.11
Dipole, Da:	10.44
IP(EA), eV:	-9.36(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-[7-(cyclopenten-1-ylmethyl)-3-methyl-2,6-dioxo-1-phenacyl-4,5-dihydropurin-8-yl]piperidin-3-yl]carbamate

Drug info:

PubChemData

Smile

C1CCC(CC1)OC2=C(C=CC(=C2)C3=CC=C(C=C3)CCNCC(C4=CC=CC=C4)O)C(=O)NS(=O)(=O)CCO.Cl

DOS

IR

Vibrations