Geometry & MOs

Info

ID:	155164
PubChem CID:	56320891
Reduced:	BrSN3O3C20H26 (1)
Stoich.:	ABC3D3E20F26 (1)
Weight, g/mol:	382.00837
ΔH_f, kcal/mol:	-90.87
Dipole, Da:	4.57
IP(EA), eV:	-9.09(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-chloro-N-[[4-(ethoxymethyl)phenyl]methyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)C)Br

DOS

IR

Vibrations