Geometry & MOs

Info

ID:	232996
PubChem CID:	87577912
Reduced:	ClFN2S2O6H22C24 (1)
Stoich.:	ABC2D2E6F22G24 (1)
Weight, g/mol:	500.13107
ΔH_f, kcal/mol:	-203.98
Dipole, Da:	6.84
IP(EA), eV:	-9.17(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[bromo-[(2-ethoxyphenyl)methyl]carbamoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetic acid

Drug info:

PubChemData

Smile

CCOC(=O)CC1=CSC(=N1)NC(=O)C(C2=CC=C(C=C2)S(=O)(=O)C3CC3)OC4=C(C=C(C=C4)Cl)F

DOS

IR

Vibrations