Geometry & MOs

Info

ID:	200819
PubChem CID:	79448690
Reduced:	ClNOC16H24 (1)
Stoich.:	ABCD16E24 (1)
Weight, g/mol:	260.088244
ΔH_f, kcal/mol:	-35.62
Dipole, Da:	1.09
IP(EA), eV:	-8.93(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethylsulfonyl-2-(2-fluorophenyl)butan-1-ol

Drug info:

PubChemData

Smile

CC(C)OCCC(CNC1CC1)C2=CC=CC=C2Cl

DOS

IR

Vibrations