Geometry & MOs

Info

ID:	192681
PubChem CID:	78301562
Reduced:	NOSC23H27 (1)
Stoich.:	ABCD23E27 (1)
Weight, g/mol:	370.137142
ΔH_f, kcal/mol:	-7.42
Dipole, Da:	1.52
IP(EA), eV:	-8.48(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(3,7-dimethyl-2,6-dioxo-5H-purin-7-ium-1-yl)propyl N,N-diethylcarbamodithioate

Drug info:

PubChemData

Smile

C1CCN2CCCC(C2C1)CSC3C4=CC=CC=C4OC5=CC=CC=C35

DOS

IR

Vibrations