Geometry & MOs

Info

ID:	280179
PubChem CID:	103847367
Reduced:	BrNOSC11H14 (1)
Stoich.:	ABCDE11F14 (1)
Weight, g/mol:	294.128966
ΔH_f, kcal/mol:	-19.6
Dipole, Da:	2.5
IP(EA), eV:	-9.05(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-ethoxy-3-[(2-methyloxolan-3-yl)sulfanylmethyl]phenyl]ethanone

Drug info:

PubChemData

Smile

CC1C(CCO1)SCC2=NC=C(C=C2)Br

DOS

IR

Vibrations