Geometry & MOs

Info

ID:	227056
PubChem CID:	87559940
Reduced:	S2N3O6C24H33 (1)
Stoich.:	A2B3C6D24E33 (1)
Weight, g/mol:	360.97165
ΔH_f, kcal/mol:	-216.44
Dipole, Da:	6.96
IP(EA), eV:	-9.15(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-(5-bromo-2-chloropyridine-3-carbonyl)-3-ethoxypent-2-enoic acid

Drug info:

PubChemData

Smile

CC1=CSC(=N1)NC(=O)[C@H](CC2CCCC2)C3=CC=C(C=C3)S(=O)(=O)N(CCC(=O)O)CCOC

DOS

IR

Vibrations