Geometry & MOs

Info

ID:	373590
PubChem CID:	131317581
Reduced:	NOC11H15 (1)
Stoich.:	ABC11D15 (1)
Weight, g/mol:	354.85285
ΔH_f, kcal/mol:	-32.5
Dipole, Da:	4.77
IP(EA), eV:	-8.32(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-6-oxo-2-(trifluoromethoxy)-1H-pyridine-4-sulfonyl chloride

Drug info:

PubChemData

Smile

CC1=CC(=C(N1)C)/C=C(\C)/C(=O)C

DOS

IR

Vibrations