Geometry & MOs

Info

ID:	142400
PubChem CID:	53029716
Reduced:	SN3O3C21H23 (1)
Stoich.:	AB3C3D21E23 (1)
Weight, g/mol:	401.120941
ΔH_f, kcal/mol:	-59.19
Dipole, Da:	5.18
IP(EA), eV:	-9.39(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-benzylsulfonyl-3-(4-fluorophenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC3(CCN(CC3)S(=O)(=O)CC4=CC=CC=C4)NC2=O

DOS

IR

Vibrations