Geometry & MOs

Info

ID:	144018
PubChem CID:	53301336
Reduced:	SO2N8C22H40 (1)
Stoich.:	AB2C8D22E40 (1)
Weight, g/mol:	456.226723
ΔH_f, kcal/mol:	-7.58
Dipole, Da:	8.9
IP(EA), eV:	-9.18(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,2-bis[[1-(3-methoxypropyl)triazol-4-yl]methyl]-N-methyl-1,1-dioxo-1,2-thiazolidin-4-amine

Drug info:

PubChemData

Smile

CCCCCCN1C=C(N=N1)CN2CC(CS2(=O)=O)N(C)CC3=CN(N=N3)CCCCCC

DOS

IR

Vibrations