Geometry & MOs

Info

ID:	201321
PubChem CID:	79525228
Reduced:	N2O4C15H26 (1)
Stoich.:	A2B4C15D26 (1)
Weight, g/mol:	260.083078
ΔH_f, kcal/mol:	-212.29
Dipole, Da:	5.76
IP(EA), eV:	-9.41(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(cyanomethylsulfonylamino)methyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(CCC1CNC(=O)N2CCC(CC2)CO)C(=O)O

DOS

IR

Vibrations