Geometry & MOs

Info

ID:	32990
PubChem CID:	7849990
Reduced:	BrSO5H15C17 (1)
Stoich.:	ABC5D15E17 (1)
Weight, g/mol:	312.116173
ΔH_f, kcal/mol:	-154.55
Dipole, Da:	3.73
IP(EA), eV:	-10.0(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] (E)-3-(2-methylphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)C2=CC(=CC=C2)Br

DOS

IR

Vibrations