Geometry & MOs

Info

ID:	48029
PubChem CID:	10536697
Reduced:	ON2C13H16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	216.025427
ΔH_f, kcal/mol:	-10.13
Dipole, Da:	1.92
IP(EA), eV:	-9.44(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(trifluoromethyldisulfanyl)cyclohexane

Drug info:

PubChemData

Smile

CC1CCC2=N[C@H]3[C@H]4C[C@@H]([C@H]3C(=O)N12)C=C4

DOS

IR

Vibrations