Geometry & MOs

Info

ID:	202167
PubChem CID:	79637895
Reduced:	OSN2C12H24 (1)
Stoich.:	ABC2D12E24 (1)
Weight, g/mol:	271.1606
ΔH_f, kcal/mol:	-80.73
Dipole, Da:	3.11
IP(EA), eV:	-8.62(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC1(CCCC(C1)SCC)C(=O)N

DOS

IR

Vibrations