Geometry & MOs

Info

ID:	262595
PubChem CID:	103303341
Reduced:	SCl2O2N3H11C12 (1)
Stoich.:	AB2C2D3E11F12 (1)
Weight, g/mol:	272.1388
ΔH_f, kcal/mol:	-35.16
Dipole, Da:	6.64
IP(EA), eV:	-9.03(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cycloheptyl-1-(2,4,5-trifluorophenyl)ethanol

Drug info:

PubChemData

Smile

CNC1=C(N=CC=C1)S(=O)(=O)NC2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations