Geometry & MOs

Info

ID:	59745
PubChem CID:	24895501
Reduced:	NO4C21H22 (1)
Stoich.:	AB4C21D22 (1)
Weight, g/mol:	310.059841
ΔH_f, kcal/mol:	-75.68
Dipole, Da:	6.41
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.759233
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2-(9H-thioxanthen-9-ylsulfanyl)imidazole

Drug info:

PubChemData

Smile

C[C@H]1[C@H]2CC3N1C[C@@H]4[C@]3([C]5[C]([C]6CCOC(=O)[C]6[C]5C2=O)C(=O)CC4)C

DOS

IR

Vibrations