Geometry & MOs

Info

ID:	312313
PubChem CID:	126604250
Reduced:	OC11H18 (1)
Stoich.:	AB11C18 (1)
Weight, g/mol:	501.179679
ΔH_f, kcal/mol:	-64.93
Dipole, Da:	1.89
IP(EA), eV:	-9.19(1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[6-(4-tert-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalene-2-carbonyl]amino]ethanesulfonic acid

Drug info:

PubChemData

Smile

C1CC=C(C1)C2CCC(CC2)O

DOS

IR

Vibrations