Geometry & MOs

Info

ID:	34077
PubChem CID:	7889726
Reduced:	NO4H11C14 (1)
Stoich.:	AB4C11D14 (1)
Weight, g/mol:	368.02337
ΔH_f, kcal/mol:	-87.37
Dipole, Da:	2.12
IP(EA), eV:	-8.96(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] pyridine-4-carboxylate

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)COC(=O)C3=CC=NC=C3

DOS

IR

Vibrations