Geometry & MOs

Info

ID:	423590
PubChem CID:	135119786
Reduced:	ClNSO5C13H16 (1)
Stoich.:	ABCD5E13F16 (1)
Weight, g/mol:	372.204907
ΔH_f, kcal/mol:	-213.07
Dipole, Da:	4.05
IP(EA), eV:	-10.04(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(2-cyclopentyloxyphenyl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[C@@H]([C@H](C2)C(=O)O)O)Cl

DOS

IR

Vibrations