Geometry & MOs

Info

ID:	67870
PubChem CID:	46507341
Reduced:	SF2N3O3H13C16 (1)
Stoich.:	AB2C3D3E13F16 (1)
Weight, g/mol:	330.078662
ΔH_f, kcal/mol:	-176.47
Dipole, Da:	6.19
IP(EA), eV:	-9.24(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(pyridin-4-ylmethyl)propanamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)F)CNC(=O)CCN2C(=O)C3=C(C=CS3)NC2=O

DOS

IR

Vibrations