Geometry & MOs

Info

ID:	81582
PubChem CID:	49854887
Reduced:	N2O5C23H30 (1)
Stoich.:	A2B5C23D30 (1)
Weight, g/mol:	439.91626
ΔH_f, kcal/mol:	-162.63
Dipole, Da:	8.71
IP(EA), eV:	-8.6(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)phenyl]sulfanyl-4,5-dihydro-1H-imidazole;dihydrobromide

Drug info:

PubChemData

Smile

C1C[C@]2([C@H]3CC4=C5C2(CCN3CC6CC6)[C@H]([C@H]1NCCC(=O)O)OC5=C(C=C4)O)O

DOS

IR

Vibrations