Geometry & MOs

Info

ID:	390567
PubChem CID:	134999739
Reduced:	O5C20H26 (1)
Stoich.:	A5B20C26 (1)
Weight, g/mol:	448.05552
ΔH_f, kcal/mol:	-208.2
Dipole, Da:	1.6
IP(EA), eV:	-8.57(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-3-(4-bromophenyl)-3-[(6S)-6-methyloxan-2-yl]oxy-2-methylsulfonylpropanoate

Drug info:

PubChemData

Smile

CCOC(=O)C1(CC(/C(=C/C2=CC=C(C=C2)OC)/C1)C)C(=O)OCC

DOS

IR

Vibrations