Geometry & MOs

Info

ID:	431163
PubChem CID:	135171233
Reduced:	O2N5C21H27 (1)
Stoich.:	A2B5C21D27 (1)
Weight, g/mol:	422.167105
ΔH_f, kcal/mol:	6.84
Dipole, Da:	3.27
IP(EA), eV:	-9.18(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[hydroxy(7-oxa-2-thiabicyclo[4.1.0]heptan-4-yl)methoxy]ethyl-[2-[3-(5-hydroxythiolan-3-yl)oxiran-2-yl]oxyethyl]-dimethylazanium

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=NOC(=C2)C)C(=O)C3=CC4=C(N3)C=CC=N4

DOS

IR

Vibrations