Geometry & MOs

Info

ID:	199979
PubChem CID:	79326717
Reduced:	OSN2C9H12 (1)
Stoich.:	ABC2D9E12 (1)
Weight, g/mol:	266.097666
ΔH_f, kcal/mol:	-0.42
Dipole, Da:	5.81
IP(EA), eV:	-8.37(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-ethoxy-3-(oxetan-3-ylsulfanylmethyl)phenyl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1N)SC2COC2

DOS

IR

Vibrations