Geometry & MOs

Info

ID:	291988
PubChem CID:	114000340
Reduced:	SO2N3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	274.12388
ΔH_f, kcal/mol:	-18.23
Dipole, Da:	6.57
IP(EA), eV:	-9.16(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[1-[(5-methyloxolan-2-yl)methylsulfinylmethyl]cyclopropyl]acetate

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C#N)SCC2(CC2)CC(=O)OC)C

DOS

IR

Vibrations