Geometry & MOs

Info

ID:	201855
PubChem CID:	79593462
Reduced:	BrOSH13C18 (1)
Stoich.:	ABCD13E18 (1)
Weight, g/mol:	292.182064
ΔH_f, kcal/mol:	36.24
Dipole, Da:	4.66
IP(EA), eV:	-9.13(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(aminomethyl)cyclohexyl]-N-methyl-2-propan-2-yloxyethanesulfonamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC(=C2)C(=O)C3=CC=C(C4=CC=CC=C43)Br

DOS

IR

Vibrations