Geometry & MOs

Info

ID:	142401
PubChem CID:	53029717
Reduced:	FSN3O3C20H20 (1)
Stoich.:	ABC3D3E20F20 (1)
Weight, g/mol:	413.140927
ΔH_f, kcal/mol:	-96.95
Dipole, Da:	4.7
IP(EA), eV:	-9.71(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC12NC(=O)C(=N2)C3=CC=C(C=C3)F)S(=O)(=O)CC4=CC=CC=C4

DOS

IR

Vibrations