Geometry & MOs

Info

ID:	243889
PubChem CID:	99300571
Reduced:	SCl2N2O2H14C18 (1)
Stoich.:	AB2C2D2E14F18 (1)
Weight, g/mol:	356.007862
ΔH_f, kcal/mol:	-19.63
Dipole, Da:	5.73
IP(EA), eV:	-9.04(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyanophenyl) 2-(trifluoromethylsulfonyl)pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC=CC=C2Cl)C(=O)NC3=C(C=CC(=C3)Cl)OC

DOS

IR

Vibrations