Geometry & MOs

Info

ID:	209085
PubChem CID:	80621683
Reduced:	NSC14H27 (1)
Stoich.:	ABC14D27 (1)
Weight, g/mol:	248.048271
ΔH_f, kcal/mol:	-44.58
Dipole, Da:	1.62
IP(EA), eV:	-8.43(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

thiolan-2-yl-(2,3,4-trifluorophenyl)methanol

Drug info:

PubChemData

Smile

CCC1CCCC(C1)C(C2CCCS2)NC

DOS

IR

Vibrations