Geometry & MOs

Info

ID:	443506
PubChem CID:	135259220
Reduced:	SF2O2N4C26H34 (1)
Stoich.:	AB2C2D4E26F34 (1)
Weight, g/mol:	444.0108
ΔH_f, kcal/mol:	-165.7
Dipole, Da:	7.91
IP(EA), eV:	-8.94(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-1'-hydroxy-8-methyl-1'-(1,1,2,2,2-pentafluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-cyclohexane]-1,5-dione

Drug info:

PubChemData

Smile

CCC(C)C1(CCC(CC1)(F)F)NC(=O)/C(=C(\C)/C=C(\C(=O)C)/NC2=C3C=C(SC3=NC=N2)C)/C

DOS

IR

Vibrations