Geometry & MOs

Info

ID:	202584
PubChem CID:	79692240
Reduced:	NSCl2O2H11C15 (1)
Stoich.:	ABC2D2E11F15 (1)
Weight, g/mol:	303.072928
ΔH_f, kcal/mol:	-18.26
Dipole, Da:	4.11
IP(EA), eV:	-9.02(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-fluorophenyl)ethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)Cl)NC(=O)C2=CSC(=C2)C#CCCO

DOS

IR

Vibrations