Geometry & MOs

Info

ID:	177788
PubChem CID:	76230478
Reduced:	O2S3N5C22H25 (1)
Stoich.:	A2B3C5D22E25 (1)
Weight, g/mol:	460.214427
ΔH_f, kcal/mol:	44.95
Dipole, Da:	9.55
IP(EA), eV:	-8.26(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(2-phenylethenylsulfonyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC2=NN(C(=S)S2)CN3CCN(CC3)S(=O)(=O)C=CC4=CC=CC=C4

DOS

IR

Vibrations