Geometry & MOs

Info

ID:	202166
PubChem CID:	79637894
Reduced:	NSO2C12H23 (1)
Stoich.:	ABC2D12E23 (1)
Weight, g/mol:	244.160935
ΔH_f, kcal/mol:	-120.83
Dipole, Da:	1.86
IP(EA), eV:	-8.56(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethylsulfanyl-1-(propylamino)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1(CCCC(C1)SCC)NC

DOS

IR

Vibrations