Geometry & MOs

Info

ID:	50332
PubChem CID:	12012852
Reduced:	NO3C21H27 (1)
Stoich.:	AB3C21D27 (1)
Weight, g/mol:	300.118401
ΔH_f, kcal/mol:	-91.45
Dipole, Da:	3.02
IP(EA), eV:	-8.74(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-(1-phenylethyl) 3-methoxy-3-phenylpropanethioate

Drug info:

PubChemData

Smile

C[C@@H]([C@@H](C1=CC=CC=C1)OC(=O)CC(C2=CC=CC=C2)OC)N(C)C

DOS

IR

Vibrations