Geometry & MOs

Info

ID:	36906
PubChem CID:	8014523
Reduced:	S2N3O4H15C16 (1)
Stoich.:	A2B3C4D15E16 (1)
Weight, g/mol:	416.267508
ΔH_f, kcal/mol:	-86.34
Dipole, Da:	9.45
IP(EA), eV:	-9.36(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

[(1R)-2-[[(2S)-2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]azaniumyl]-1-(4-methoxyphenyl)ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

CCOC1=C(C=CC=N1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

DOS

IR

Vibrations