Geometry & MOs

Info

ID:	157139
PubChem CID:	56422180
Reduced:	FSN3O3C17H18 (1)
Stoich.:	ABC3D3E17F18 (1)
Weight, g/mol:	428.168225
ΔH_f, kcal/mol:	-61.02
Dipole, Da:	1.3
IP(EA), eV:	-9.08(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(5-fluoro-2-piperidin-1-ylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(S1)C(=O)NC2=C(C=CC(=C2)F)N3CCCCC3)[N+](=O)[O-]

DOS

IR

Vibrations