Geometry & MOs

Info

ID:	205100
PubChem CID:	80056148
Reduced:	N2O5C12H12 (1)
Stoich.:	A2B5C12D12 (1)
Weight, g/mol:	294.095952
ΔH_f, kcal/mol:	-141.89
Dipole, Da:	3.54
IP(EA), eV:	-8.61(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-methyl-3-(3-methylsulfonylcyclohexyl)sulfanylpropanoate

Drug info:

PubChemData

Smile

COC1=NC2=CC3=C(C=C2N1CC(=O)O)OCCO3

DOS

IR

Vibrations