Geometry & MOs

Info

ID:	296170
PubChem CID:	117558697
Reduced:	BrSN2O4C9H13 (1)
Stoich.:	ABC2D4E9F13 (1)
Weight, g/mol:	336.01433
ΔH_f, kcal/mol:	-127.72
Dipole, Da:	3.69
IP(EA), eV:	-9.56(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-methoxy-N-(3-methylbutyl)pyridine-3-sulfonamide

Drug info:

PubChemData

Smile

COCCNS(=O)(=O)C1=C(N=CC(=C1)Br)OC

DOS

IR

Vibrations