Geometry & MOs

Info

ID:	231347
PubChem CID:	87573517
Reduced:	S2F3N3O3H14C16 (1)
Stoich.:	A2B3C3D3E14F16 (1)
Weight, g/mol:	265.011741
ΔH_f, kcal/mol:	-172.45
Dipole, Da:	4.24
IP(EA), eV:	-8.0(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-[2-chloro-6-(trifluoromethyl)pyridin-3-yl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C=CN=C1CSC2=NC3=C(N2)C=CCC3=S(=O)=O)OCC(F)(F)F

DOS

IR

Vibrations