Geometry & MOs

Info

ID:	29879
PubChem CID:	837981
Reduced:	O6C17H18 (1)
Stoich.:	A6B17C18 (1)
Weight, g/mol:	285.118735
ΔH_f, kcal/mol:	-180.26
Dipole, Da:	8.36
IP(EA), eV:	-8.39(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(3-methylsulfanylphenyl)-2-phenylbutanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2OC)OC)OC

DOS

IR

Vibrations