Geometry & MOs

Info

ID:	202164
PubChem CID:	79637892
Reduced:	NO2S2C14H21 (1)
Stoich.:	AB2C2D14E21 (1)
Weight, g/mol:	257.054421
ΔH_f, kcal/mol:	-76.87
Dipole, Da:	3.2
IP(EA), eV:	-8.76(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-amino-3-thiophen-2-ylsulfanylcyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCNC1(CCCC(C1)SC2=CC=CS2)C(=O)O

DOS

IR

Vibrations