Geometry & MOs

Info

ID:	164543
PubChem CID:	74414759
Reduced:	N2O3C18H25 (1)
Stoich.:	A2B3C18D25 (1)
Weight, g/mol:	372.190521
ΔH_f, kcal/mol:	-61.42
Dipole, Da:	1.05
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.082244
Charge, e:	2

Chem-info

IUPAC name:

[2-(2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy)phenyl]methyl-(3-methylsulfanylpropyl)azanium

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=NC(=C(O2)C)C[NH+](C)C3CCOC3)OC

DOS

IR

Vibrations