Geometry & MOs

Info

ID:	138838
PubChem CID:	52433079
Reduced:	ClSN3O3H18C20 (1)
Stoich.:	ABC3D3E18F20 (1)
Weight, g/mol:	406.10842
ΔH_f, kcal/mol:	-52.54
Dipole, Da:	3.43
IP(EA), eV:	-8.71(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(4-chlorophenyl)-2-methoxy-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]acetamide

Drug info:

PubChemData

Smile

CC(=O)NC1=NC(=CS1)C2=CC(=CC=C2)NC(=O)[C@@H](C3=CC=C(C=C3)Cl)OC

DOS

IR

Vibrations