Geometry & MOs

Info

ID:	192718
PubChem CID:	78303620
Reduced:	ClNSC14H14 (1)
Stoich.:	ABCD14E14 (1)
Weight, g/mol:	368.224597
ΔH_f, kcal/mol:	48.31
Dipole, Da:	2.49
IP(EA), eV:	-9.0(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-heptyl-3-methyl-8-pentylsulfanyl-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C(=S)C1CC=C(C)Cl

DOS

IR

Vibrations