Geometry & MOs

Info

ID:	399746
PubChem CID:	135042214
Reduced:	OC16H20 (1)
Stoich.:	AB16C20 (1)
Weight, g/mol:	317.99253
ΔH_f, kcal/mol:	-25.88
Dipole, Da:	3.04
IP(EA), eV:	-9.3(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S)-1-methoxy-1-phenylsulfanylpropan-2-yl] 2-bromoacetate

Drug info:

PubChemData

Smile

CC[C@@]1([C@H]2CCCC[C@H]2C1=O)C3=CC=CC=C3

DOS

IR

Vibrations