Geometry & MOs

Info

ID:	202165
PubChem CID:	79637893
Reduced:	NO2S2C11H15 (1)
Stoich.:	AB2C2D11E15 (1)
Weight, g/mol:	245.14495
ΔH_f, kcal/mol:	-70.26
Dipole, Da:	4.37
IP(EA), eV:	-8.78(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-ethylsulfanyl-1-(methylamino)cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

C1CC(CC(C1)(C(=O)O)N)SC2=CC=CS2

DOS

IR

Vibrations