Geometry & MOs

Info

ID:	291982
PubChem CID:	114000090
Reduced:	SN2O3C13H14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	281.108565
ΔH_f, kcal/mol:	-91.21
Dipole, Da:	8.33
IP(EA), eV:	-9.02(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[1-[(6-methoxypyridin-2-yl)methylsulfanylmethyl]cyclopropyl]acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C#N)SC[C@@H](C(=O)O)NC(=O)C

DOS

IR

Vibrations