Geometry & MOs

Info

ID:	21137
PubChem CID:	587319
Reduced:	N2O2Cl3H11C20 (1)
Stoich.:	A2B2C3D11E20 (1)
Weight, g/mol:	415.988611
ΔH_f, kcal/mol:	4.7
Dipole, Da:	0.54
IP(EA), eV:	-9.01(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)Cl)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations