Geometry & MOs

Info

ID:	431437
PubChem CID:	135171517
Reduced:	OSC7H14 (1)
Stoich.:	ABC7D14 (1)
Weight, g/mol:	355.01024
ΔH_f, kcal/mol:	-57.74
Dipole, Da:	3.62
IP(EA), eV:	-8.7(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-methyl-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)-2H-imidazole-2-carbonitrile

Drug info:

PubChemData

Smile

CC(C=O)C(C)(C)SC

DOS

IR

Vibrations