Geometry & MOs

Info

ID:	60449
PubChem CID:	26686685
Reduced:	ClNSO7C21H22 (1)
Stoich.:	ABCD7E21F22 (1)
Weight, g/mol:	473.077848
ΔH_f, kcal/mol:	-246.92
Dipole, Da:	3.45
IP(EA), eV:	-9.2(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-chloro-5-nitrobenzoyl)amino]phenyl] (E)-3-quinolin-2-ylprop-2-enoate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(=O)OC)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations