Geometry & MOs

Info

ID:	242726
PubChem CID:	99205885
Reduced:	SO3N4C17H28 (1)
Stoich.:	AB3C4D17E28 (1)
Weight, g/mol:	452.99154
ΔH_f, kcal/mol:	-116.01
Dipole, Da:	5.65
IP(EA), eV:	-8.78(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[(2-bromo-5-methylsulfonylphenyl)sulfonylamino]cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)N(C)S(=O)(=O)NC1CCN(CC1)CC(=O)NC2=CC=CC=C2

DOS

IR

Vibrations