Geometry & MOs

Info

ID:	60915
PubChem CID:	26703082
Reduced:	ClN2O3H15C20 (1)
Stoich.:	AB2C3D15E20 (1)
Weight, g/mol:	466.093164
ΔH_f, kcal/mol:	-39.54
Dipole, Da:	1.86
IP(EA), eV:	-8.9(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-methoxybenzoyl)amino]phenyl] 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoate

Drug info:

PubChemData

Smile

CC1=NC2=C(O1)C=CC(=C2)NC(=O)COC3=CC=C(C4=CC=CC=C43)Cl

DOS

IR

Vibrations