Geometry & MOs

Info

ID:	412834
PubChem CID:	135085763
Reduced:	OS2H12C14 (1)
Stoich.:	AB2C12D14 (1)
Weight, g/mol:	188.08373
ΔH_f, kcal/mol:	54.2
Dipole, Da:	4.07
IP(EA), eV:	-8.7(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[(2R,3S)-3-methyloxiran-2-yl]-1-phenylprop-2-en-1-one

Drug info:

PubChemData

Smile

C=CCOC1=CC=CC=C1C(=S)C2=CC=CS2

DOS

IR

Vibrations