Geometry & MOs

Info

ID:	271631
PubChem CID:	103686256
Reduced:	ClNSO3H12C13 (1)
Stoich.:	ABCD3E12F13 (1)
Weight, g/mol:	279.072928
ΔH_f, kcal/mol:	-96.12
Dipole, Da:	4.84
IP(EA), eV:	-9.42(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methylbenzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)O)C(=O)NCC(C2=CSC=C2)O

DOS

IR

Vibrations