Geometry & MOs

Info

ID:	307797
PubChem CID:	125309342
Reduced:	O2N3H19C21 (1)
Stoich.:	A2B3C19D21 (1)
Weight, g/mol:	431.06638
ΔH_f, kcal/mol:	14.86
Dipole, Da:	5.25
IP(EA), eV:	-9.03(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(6R)-5-(3,4-difluorophenyl)-4-oxo-6H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-N-(4-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

C1CN(C[C@H]2C1=C3C=CC=CC3=N2)[C@@H]4CC(=O)N(C4=O)C5=CC=CC=C5

DOS

IR

Vibrations