Geometry & MOs

Info

ID:	220892
PubChem CID:	85240272
Reduced:	FN3O3C13H20 (1)
Stoich.:	AB3C3D13E20 (1)
Weight, g/mol:	283.087829
ΔH_f, kcal/mol:	-209.95
Dipole, Da:	3.52
IP(EA), eV:	-10.09(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[3-(4-methylphenyl)sulfanyl-3-nitrooxiran-2-yl]propan-1-ol

Drug info:

PubChemData

Smile

CC1CCC(C(C1)C)NC(=O)N2CC(C(=O)NC2=O)F

DOS

IR

Vibrations