Geometry & MOs

Info

ID:	217155
PubChem CID:	85087346
Reduced:	SN3O4C15H19 (1)
Stoich.:	AB3C4D15E19 (1)
Weight, g/mol:	337.167794
ΔH_f, kcal/mol:	-107.4
Dipole, Da:	3.53
IP(EA), eV:	-8.86(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[benzoyl(benzyl)amino]cyclopentyl]acetic acid

Drug info:

PubChemData

Smile

CN1C2CCC3=C(C2=CCC1N)N=CS3.C(=CC(=O)O)C(=O)O

DOS

IR

Vibrations