Geometry & MOs

Info

ID:	224721
PubChem CID:	85348942
Reduced:	OC15H20 (1)
Stoich.:	AB15C20 (1)
Weight, g/mol:	221.087435
ΔH_f, kcal/mol:	-11.79
Dipole, Da:	1.9
IP(EA), eV:	-9.36(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylsulfanyl-N-(2-phenylethyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)(C=CCO)C(C=C)C1=CC=CC=C1

DOS

IR

Vibrations