Geometry & MOs

Info

ID:	379629
PubChem CID:	134452147
Reduced:	SO4F5C36H51 (1)
Stoich.:	AB4C5D36E51 (1)
Weight, g/mol:	278.077931
ΔH_f, kcal/mol:	-507.22
Dipole, Da:	8.94
IP(EA), eV:	-10.55(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2-pyrazin-2-yl-4-(trifluoromethyl)-1H-benzimidazole

Drug info:

PubChemData

Smile

CC12CC[C@](CC1CCC3C2CCC4(C3CCC4CC(CCC5(CCC(CC5)(F)F)O)S(=O)(=O)C6=CC=CC=C6)C)(C(F)(F)F)O

DOS

IR

Vibrations