Geometry & MOs

Info

ID:	164350
PubChem CID:	74384797
Reduced:	SO2N5H17C25 (1)
Stoich.:	AB2C5D17E25 (1)
Weight, g/mol:	328.189926
ΔH_f, kcal/mol:	126.95
Dipole, Da:	7.72
IP(EA), eV:	-8.47(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cycloheptyl-1-phenyl-3a,6,7,7a-tetrahydro-2H-pyrazolo[3,4-d]pyrimidine-3,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=NC2=NC(=CS2)NC3=CC4=C(C=C3)OC(=O)C=C4)N=NC5=CC=CC=C5

DOS

IR

Vibrations