Geometry & MOs

Info

ID:	213031
PubChem CID:	81062586
Reduced:	SN3O3C13H23 (1)
Stoich.:	AB3C3D13E23 (1)
Weight, g/mol:	286.225643
ΔH_f, kcal/mol:	-113.83
Dipole, Da:	5.02
IP(EA), eV:	-8.98(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[methyl(2-propan-2-yloxyethyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCNC1=C(C=CC=N1)S(=O)(=O)N(C)CCOCC

DOS

IR

Vibrations