Geometry & MOs

Info

ID:	373365
PubChem CID:	131314271
Reduced:	BrNOC13H14 (1)
Stoich.:	ABCD13E14 (1)
Weight, g/mol:	304.973641
ΔH_f, kcal/mol:	-7.54
Dipole, Da:	3.39
IP(EA), eV:	-9.16(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-3-methyl-5-(trifluoromethoxy)pyridine-2-sulfonyl chloride

Drug info:

PubChemData

Smile

CC(C)(CC1CC2=C(O1)C=CC=C2Br)C#N

DOS

IR

Vibrations