Geometry & MOs

Info

ID:	201567
PubChem CID:	79557293
Reduced:	NSO2C17H31 (1)
Stoich.:	ABC2D17E31 (1)
Weight, g/mol:	311.1919
ΔH_f, kcal/mol:	-133.76
Dipole, Da:	5.24
IP(EA), eV:	-8.63(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(cyclopentylmethylsulfanyl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCNC1(CCCC1CCSCC2CCCC2)C(=O)O

DOS

IR

Vibrations