Geometry & MOs

Info

ID:	165124
PubChem CID:	74502856
Reduced:	SN2O2C21H38 (1)
Stoich.:	AB2C2D21E38 (1)
Weight, g/mol:	379.247107
ΔH_f, kcal/mol:	-58.24
Dipole, Da:	17.86
IP(EA), eV:	-6.15(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

diethyl-[2-hydroxy-3-[2-methoxy-5-[[methyl(1,2-oxazol-3-ylmethyl)azaniumyl]methyl]phenoxy]propyl]azanium

Drug info:

PubChemData

Smile

C[NH+](CC(COC1=CC=CC(=C1)C[NH2+]CCCSC)O)C2CCCCC2

DOS

IR

Vibrations