Geometry & MOs

Info

ID:	187232
PubChem CID:	77548429
Reduced:	FSN3O7H20C22 (1)
Stoich.:	ABC3D7E20F22 (1)
Weight, g/mol:	338.144199
ΔH_f, kcal/mol:	-207.61
Dipole, Da:	7.67
IP(EA), eV:	-9.42(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetic acid

Drug info:

PubChemData

Smile

CNC(C1=NN(C(=C1)S(=O)(=O)C2=CC=CC(=C2)OC)C3=CC=CC=C3F)OC(=O)C=CC(=O)O

DOS

IR

Vibrations