Geometry & MOs

Info

ID:	327546
PubChem CID:	126690302
Reduced:	SF3C6H13 (1)
Stoich.:	AB3C6D13 (1)
Weight, g/mol:	408.183127
ΔH_f, kcal/mol:	-152.47
Dipole, Da:	4.54
IP(EA), eV:	-7.24(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-[(2-amino-3-methyl-2H-imidazol-1-yl)methyl]-2,2-dimethyl-1,3-dioxan-5-yl]methoxysulfanyl]benzamide

Drug info:

PubChemData

Smile

CS(C)(C)CCC(F)(F)F

DOS

IR

Vibrations