Geometry & MOs

Info

ID:	218668
PubChem CID:	85089786
Reduced:	ClSN5O6C20H20 (1)
Stoich.:	ABC5D6E20F20 (1)
Weight, g/mol:	494.04635
ΔH_f, kcal/mol:	-161.05
Dipole, Da:	3.11
IP(EA), eV:	-8.7(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-methyl-3-[6-[3-methyl-2-(oxoazaniumylmethylidene)imidazol-1-yl]hexyl]imidazol-2-ylidene]methyl-oxoazanium;dibromide

Drug info:

PubChemData

Smile

CC(=O)OC1C(OC(C1OC(=O)C)N2C=NC3=C(N=CN=C32)N)CS(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations