Geometry & MOs

Info

ID:	397955
PubChem CID:	135031129
Reduced:	FSN2O3C17H17 (1)
Stoich.:	ABC2D3E17F17 (1)
Weight, g/mol:	381.98744
ΔH_f, kcal/mol:	-109.66
Dipole, Da:	7.28
IP(EA), eV:	-9.81(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-2-(benzenesulfonyl)-2-(4-bromophenyl)acetate

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)[C@@H](C2=C(N=CC=C2)F)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations