Geometry & MOs

Info

ID:	60837
PubChem CID:	26702559
Reduced:	N3O4C20H21 (1)
Stoich.:	A3B4C20D21 (1)
Weight, g/mol:	406.072035
ΔH_f, kcal/mol:	-124.89
Dipole, Da:	5.3
IP(EA), eV:	-8.68(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(4-chlorobenzoyl)amino]phenyl] 2-(1,2-benzoxazol-3-yl)acetate

Drug info:

PubChemData

Smile

CC1=NC2=C(O1)C=CC(=C2)NC(=O)C3=CC(=CC=C3)NC(=O)OC(C)(C)C

DOS

IR

Vibrations