Geometry & MOs

Info

ID:	201816
PubChem CID:	79587790
Reduced:	OSN6C13H24 (1)
Stoich.:	ABC6D13E24 (1)
Weight, g/mol:	371.05546
ΔH_f, kcal/mol:	6.26
Dipole, Da:	6.4
IP(EA), eV:	-9.2(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-bromophenyl)sulfanylethyl]-1-(ethylamino)cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCNC1(CCCC1CCSC2=NN=NN2C)C(=O)N

DOS

IR

Vibrations