Geometry & MOs

Info

ID:	60838
PubChem CID:	26702577
Reduced:	ClN2O4H15C22 (1)
Stoich.:	AB2C4D15E22 (1)
Weight, g/mol:	451.057113
ΔH_f, kcal/mol:	-40.92
Dipole, Da:	3.16
IP(EA), eV:	-8.94(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-chloro-5-nitrobenzoyl)amino]phenyl] 2-(1,2-benzoxazol-3-yl)acetate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NO2)CC(=O)OC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations