Geometry & MOs

Info

ID:	169619
PubChem CID:	75126872
Reduced:	NF2O2H17C18 (1)
Stoich.:	AB2C2D17E18 (1)
Weight, g/mol:	403.102434
ΔH_f, kcal/mol:	-121.81
Dipole, Da:	1.87
IP(EA), eV:	-9.08(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5,6-dimethyl-4-oxo-4aH-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-phenylmethoxypropanamide

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)F)F)NC(=O)C=CC2=CC(=CC=C2)OC

DOS

IR

Vibrations