Geometry & MOs

Info

ID:	433820
PubChem CID:	135173963
Reduced:	NO3C12H27 (1)
Stoich.:	AB3C12D27 (1)
Weight, g/mol:	480.18516
ΔH_f, kcal/mol:	-165.76
Dipole, Da:	3.34
IP(EA), eV:	-9.24(2.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-methyl-5-[3-(2-sulfoethoxycarbonyl)cyclohexyl]-1-bicyclo[3.3.1]nonanyl]ethanesulfonic acid

Drug info:

PubChemData

Smile

CNC(CCCCCOCCCCOC)O

DOS

IR

Vibrations