Geometry & MOs

Info

ID:	373667
PubChem CID:	131318484
Reduced:	BN3O4C21H26 (1)
Stoich.:	AB3C4D21E26 (1)
Weight, g/mol:	352.87359
ΔH_f, kcal/mol:	-186.94
Dipole, Da:	4.59
IP(EA), eV:	-9.2(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-3-methyl-6-(trifluoromethoxy)pyridine-4-sulfonyl chloride

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CCCCN3C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations