Geometry & MOs

Info

ID:	138967
PubChem CID:	52451167
Reduced:	N2O3C17H20 (1)
Stoich.:	A2B3C17D20 (1)
Weight, g/mol:	453.121923
ΔH_f, kcal/mol:	-75.33
Dipole, Da:	3.07
IP(EA), eV:	-8.9(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-1,3-dimethyl-5-[(2S)-2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]propanoyl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC(=C)COC(=O)CCC(=O)N1CCC(=N1)C2=CC=CC=C2

DOS

IR

Vibrations