Geometry & MOs

Info

ID:	246654
PubChem CID:	103064439
Reduced:	ClNSO2C15H16 (1)
Stoich.:	ABCD2E15F16 (1)
Weight, g/mol:	279.072928
ΔH_f, kcal/mol:	-46.5
Dipole, Da:	3.68
IP(EA), eV:	-8.76(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(thiolan-3-yl)benzamide

Drug info:

PubChemData

Smile

C1CSCC1NC(=O)C2=CC(=C(C=C2)C#CCCO)Cl

DOS

IR

Vibrations