Geometry & MOs

Info

ID:	229926
PubChem CID:	87569538
Reduced:	N2S2Cl3O3H13C16 (1)
Stoich.:	A2B2C3D3E13F16 (1)
Weight, g/mol:	285.0176
ΔH_f, kcal/mol:	-62.38
Dipole, Da:	3.97
IP(EA), eV:	-8.79(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-bromocyclohexyl)-(2,2-difluoroethyl)carbamic acid

Drug info:

PubChemData

Smile

CC1=C(NN=C1C2=CC=C(S2)Cl)C(C3=C(C=C(C=C3)Cl)Cl)OS(=O)(=O)C

DOS

IR

Vibrations