Geometry & MOs

Info

ID:	227817
PubChem CID:	87562577
Reduced:	S2O3N4C20H22 (1)
Stoich.:	A2B3C4D20E22 (1)
Weight, g/mol:	335.01571
ΔH_f, kcal/mol:	-55.1
Dipole, Da:	6.41
IP(EA), eV:	-9.14(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-benzyl-2-bromo-3-hydroxypyridine-4-carboxylate

Drug info:

PubChemData

Smile

CC(=O)NC1=NC2=C(S1)C=C(C=C2)C3=CC(=CC=C3)S(=O)(=O)NC4CCCNC4

DOS

IR

Vibrations