Geometry & MOs

Info

ID:	271733
PubChem CID:	103690047
Reduced:	ClNO5C19H20 (1)
Stoich.:	ABC5D19E20 (1)
Weight, g/mol:	355.108959
ΔH_f, kcal/mol:	-173.36
Dipole, Da:	5.65
IP(EA), eV:	-9.07(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[methyl(phenylmethoxycarbonyl)amino]-2-methylsulfonylcyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCN(C(C1=CC(=C(C=C1)OC)Cl)C(=O)O)C(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations