Geometry & MOs

Info

ID:	439403
PubChem CID:	135229177
Reduced:	SN6O12C32H60 (1)
Stoich.:	AB6C12D32E60 (1)
Weight, g/mol:	275.9932
ΔH_f, kcal/mol:	-420.35
Dipole, Da:	1.26
IP(EA), eV:	-8.85(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-bromo-5-(ethylsulfanylmethyl)-1-methylimidazol-4-yl]ethenol

Drug info:

PubChemData

Smile

C1=C(C=NC(=S)N1)COCCOCCOCCOCCOCCOCCN=C/C(=N\N)/COCCOCCOCCOCCOCCOCCN

DOS

IR

Vibrations