Geometry & MOs

Info

ID:	60839
PubChem CID:	26702579
Reduced:	ClN3O6H14C22 (1)
Stoich.:	AB3C6D14E22 (1)
Weight, g/mol:	372.111007
ΔH_f, kcal/mol:	-41.61
Dipole, Da:	7.93
IP(EA), eV:	-9.23(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-benzamidophenyl) 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=C(C=CC(=C4)[N+](=O)[O-])Cl

DOS

IR

Vibrations