Geometry & MOs

Info

ID:	279710
PubChem CID:	103844778
Reduced:	FNSO3C14H22 (1)
Stoich.:	ABCD3E14F22 (1)
Weight, g/mol:	249.139865
ΔH_f, kcal/mol:	-180.34
Dipole, Da:	3.74
IP(EA), eV:	-9.92(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-N-[2-ethyl-2-(hydroxymethyl)butyl]methanesulfonamide

Drug info:

PubChemData

Smile

CCC(CC)(CNS(=O)(=O)C1=C(C=CC(=C1)F)C)CO

DOS

IR

Vibrations