Geometry & MOs

Info

ID:	202168
PubChem CID:	79637896
Reduced:	NSO2C14H25 (1)
Stoich.:	ABC2D14E25 (1)
Weight, g/mol:	259.1606
ΔH_f, kcal/mol:	-108.86
Dipole, Da:	5.12
IP(EA), eV:	-8.65(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butan-2-ylsulfanyl-1-(ethylamino)cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)SC1CCCC(C1)(C(=O)O)NC2CC2

DOS

IR

Vibrations