Geometry & MOs

Info

ID:	380443
PubChem CID:	134970894
Reduced:	SO2C14H20 (1)
Stoich.:	AB2C14D20 (1)
Weight, g/mol:	370.07797
ΔH_f, kcal/mol:	-84.45
Dipole, Da:	2.61
IP(EA), eV:	-8.71(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-3-(4-bromophenyl)-3-[(2R,6S)-6-methyloxan-2-yl]oxypropanoate

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](OC1SC2=CC=CC=C2)[C@H](C)OC

DOS

IR

Vibrations