Geometry & MOs

Info

ID:	153838
PubChem CID:	56313158
Reduced:	FSN2O3C21H27 (1)
Stoich.:	ABC2D3E21F27 (1)
Weight, g/mol:	447.145048
ΔH_f, kcal/mol:	-140.33
Dipole, Da:	4.66
IP(EA), eV:	-9.34(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-[2-(2-fluorophenyl)-2-methylpropyl]propanamide

Drug info:

PubChemData

Smile

CC(C)N(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)NCC(C)(C)C2=CC=CC=C2F

DOS

IR

Vibrations