Geometry & MOs

Info

ID:	68393
PubChem CID:	46508329
Reduced:	SO4N5C19H21 (1)
Stoich.:	AB4C5D19E21 (1)
Weight, g/mol:	443.088413
ΔH_f, kcal/mol:	-24.03
Dipole, Da:	6.58
IP(EA), eV:	-8.48(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-chloro-2-nitroanilino)-2-oxoethyl] 2-(methoxymethyl)-4-methylquinoline-3-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=NN=NN3CC4=CC=CO4)OC

DOS

IR

Vibrations