Geometry & MOs

Info

ID:	226516
PubChem CID:	87457739
Reduced:	NO2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	470.98639
ΔH_f, kcal/mol:	-32.2
Dipole, Da:	2.7
IP(EA), eV:	-8.97(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-bromopyridin-4-yl)methyl]-6-[4-(trifluoromethylsulfanyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione

Drug info:

PubChemData

Smile

CC1(CC(C(=NO)C2=CC=CC=C21)OC)C

DOS

IR

Vibrations