Geometry & MOs

Info

ID:	212010
PubChem CID:	81059174
Reduced:	SN3O3C12H21 (1)
Stoich.:	AB3C3D12E21 (1)
Weight, g/mol:	257.162708
ΔH_f, kcal/mol:	-109.42
Dipole, Da:	4.73
IP(EA), eV:	-8.72(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-ethoxyethyl(methyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)OCCN(C)C1=C(C=C(C=C1)S(=O)(=O)N)N

DOS

IR

Vibrations