Geometry & MOs

Info

ID:	160303
PubChem CID:	57309650
Reduced:	SN2O8C33H40 (1)
Stoich.:	AB2C8D33E40 (1)
Weight, g/mol:	183.912811
ΔH_f, kcal/mol:	-265.68
Dipole, Da:	6.3
IP(EA), eV:	-8.56(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dichloro-1,1,2-trifluoroethanethiol

Drug info:

PubChemData

Smile

CC(C)CN(C(CC(=O)O)C(C)(C(C1=CC2=CC=CC=C2N1)OCCO)OC3=CC=CC(=C3)OC)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations