Geometry & MOs

Info

ID:	172802
PubChem CID:	75555239
Reduced:	SF2O2N5C22H29 (1)
Stoich.:	AB2C2D5E22F29 (1)
Weight, g/mol:	444.027472
ΔH_f, kcal/mol:	-150.6
Dipole, Da:	5.97
IP(EA), eV:	-9.4(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,4-difluorophenyl)-6-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-7aH-pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)NC(=O)CCN1C2NN=C(N2C3CCCCC3C1=O)SCC4=CC(=CC(=C4)F)F

DOS

IR

Vibrations