Geometry & MOs

Info

ID:	167333
PubChem CID:	74810728
Reduced:	SN3O4C18H32 (1)
Stoich.:	AB3C4D18E32 (1)
Weight, g/mol:	413.168108
ΔH_f, kcal/mol:	-161.77
Dipole, Da:	2.63
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757516
Charge, e:	1

Chem-info

IUPAC name:

methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]azanium

Drug info:

PubChemData

Smile

CCCCN1C(=CN=C1S(=O)(=O)CC)C[NH+]2CCCCC2C(=O)OCC

DOS

IR

Vibrations