Geometry & MOs

Info

ID:	31913
PubChem CID:	3723279
Reduced:	BrFSN2O2H10C14 (1)
Stoich.:	ABCD2E2F10G14 (1)
Weight, g/mol:	413.177313
ΔH_f, kcal/mol:	-36.16
Dipole, Da:	2.5
IP(EA), eV:	-9.93(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenyl-8-(4-propylphenyl)sulfonyl-1,3,8-triazaspiro[4.5]decan-4-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)S(=O)(=O)NCC2=CC(=C(C=C2)F)Br)C#N

DOS

IR

Vibrations