Geometry & MOs

Info

ID:	79981
PubChem CID:	49831969
Reduced:	ClNSO2C8H12 (1)
Stoich.:	ABCD2E8F12 (1)
Weight, g/mol:	276.077342
ΔH_f, kcal/mol:	-96.65
Dipole, Da:	4.74
IP(EA), eV:	-8.97(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (E)-3-(2,3,5,6-tetrafluorophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

COC(=O)C[C@@H](C1=CC=CS1)N.Cl

DOS

IR

Vibrations