Geometry & MOs

Info

ID:	192709
PubChem CID:	78303347
Reduced:	ClSN4O4C22H31 (1)
Stoich.:	ABC4D4E22F31 (1)
Weight, g/mol:	402.274324
ΔH_f, kcal/mol:	-116.57
Dipole, Da:	3.56
IP(EA), eV:	-8.87(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-decyl-8-(3,5-dimethylpyrazol-1-yl)-3-methyl-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

CCCCCCCSC1=NC2C(N1CC(COC3=CC=C(C=C3)Cl)O)C(=O)NC(=O)N2C

DOS

IR

Vibrations