Geometry & MOs

Info

ID:	142398
PubChem CID:	53029134
Reduced:	N3O3H19C22 (1)
Stoich.:	A3B3C19D22 (1)
Weight, g/mol:	383.130363
ΔH_f, kcal/mol:	-33.2
Dipole, Da:	3.89
IP(EA), eV:	-8.93(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-benzylsulfonyl-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-en-2-one

Drug info:

PubChemData

Smile

C1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)NCC3=CC=CC=N3)CC4=CC=CC=C4

DOS

IR

Vibrations