Geometry & MOs

Info

ID:	387057
PubChem CID:	134983803
Reduced:	SN2O3C15H26 (1)
Stoich.:	AB2C3D15E26 (1)
Weight, g/mol:	584.205536
ΔH_f, kcal/mol:	-97.54
Dipole, Da:	14.15
IP(EA), eV:	-9.48(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4,6,8-tris(morpholin-4-ylmethyl)-1,3,5,7,2,4,6,8-tetrathiatetrazocan-2-yl]methyl]morpholine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.C[N+]1(CCCCC1)N

DOS

IR

Vibrations