Geometry & MOs

Info

ID:	272965
PubChem CID:	103769223
Reduced:	BrFNO2C13H15 (1)
Stoich.:	ABCD2E13F15 (1)
Weight, g/mol:	249.085721
ΔH_f, kcal/mol:	-96.73
Dipole, Da:	4.15
IP(EA), eV:	-9.99(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiolane-3-carboxamide

Drug info:

PubChemData

Smile

CC(=C)COCCNC(=O)C1=CC(=C(C=C1)F)Br

DOS

IR

Vibrations