Geometry & MOs

Info

ID:	407676
PubChem CID:	135080427
Reduced:	NOBr2C12H13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	180.078428
ΔH_f, kcal/mol:	-28.27
Dipole, Da:	3.15
IP(EA), eV:	-8.95(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-difluoroethylsulfanylcyclohexane

Drug info:

PubChemData

Smile

C[C@@H]([C@]1(C2=C(C=CC(=C2)Br)N(C1=O)C)C)Br

DOS

IR

Vibrations