Geometry & MOs

Info

ID:	244548
PubChem CID:	99364905
Reduced:	ClN3O3H18C20 (1)
Stoich.:	AB3C3D18E20 (1)
Weight, g/mol:	430.05282
ΔH_f, kcal/mol:	-29.36
Dipole, Da:	4.53
IP(EA), eV:	-9.48(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-ethoxy-5-methoxy-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NO2)CNC(=O)CCNC(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations