Geometry & MOs

Info

ID:	369676
PubChem CID:	127335008
Reduced:	FSN3O3C19H20 (1)
Stoich.:	ABC3D3E19F20 (1)
Weight, g/mol:	377.123169
ΔH_f, kcal/mol:	-33.45
Dipole, Da:	8.39
IP(EA), eV:	-9.32(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2C(=O)CC3=CSC(=N3)NC(=O)C4=CC=CC=C4F)O

DOS

IR

Vibrations