Geometry & MOs

Info

ID:	139949
PubChem CID:	52620965
Reduced:	N2S2O5C21H26 (1)
Stoich.:	A2B2C5D21E26 (1)
Weight, g/mol:	307.061136
ΔH_f, kcal/mol:	-167.83
Dipole, Da:	7.36
IP(EA), eV:	-9.38(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenoxy)ethyl 1-methyl-2-oxopyridine-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NCCS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations