Geometry & MOs

Info

ID:	251417
PubChem CID:	103103814
Reduced:	SN2O3C12H14 (1)
Stoich.:	AB2C3D12E14 (1)
Weight, g/mol:	292.122321
ΔH_f, kcal/mol:	-66.58
Dipole, Da:	2.72
IP(EA), eV:	-9.61(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-2-oxoethyl)-N-ethyl-5-fluoro-2-(4-hydroxybut-1-ynyl)benzamide

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C(=O)C1=CSC(=C1)C#CCO

DOS

IR

Vibrations