Geometry & MOs

Info

ID:	286026
PubChem CID:	104146365
Reduced:	BrSN2O2H13C14 (1)
Stoich.:	ABC2D2E13F14 (1)
Weight, g/mol:	263.199762
ΔH_f, kcal/mol:	-19.17
Dipole, Da:	6.41
IP(EA), eV:	-8.96(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-N-methyl-6-(methylamino)-N-(3-methylbutyl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1Br)NS(=O)(=O)/C=C/C2=CC=CC=C2

DOS

IR

Vibrations