Geometry & MOs

Info

ID:	403232
PubChem CID:	135059302
Reduced:	OC11H18 (1)
Stoich.:	AB11C18 (1)
Weight, g/mol:	430.00991
ΔH_f, kcal/mol:	-59.08
Dipole, Da:	3.55
IP(EA), eV:	-9.71(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-1-(4-bromophenyl)-4-phenyl-6-thia-1,2,4,9-tetrazaspiro[4.4]non-2-en-8-one

Drug info:

PubChemData

Smile

CC/C=C\CC1CCCCC1=O

DOS

IR

Vibrations