Geometry & MOs

Info

ID:	138850
PubChem CID:	52434713
Reduced:	Cl2N2O3H18C23 (1)
Stoich.:	A2B2C3D18E23 (1)
Weight, g/mol:	440.069448
ΔH_f, kcal/mol:	-44.72
Dipole, Da:	3.52
IP(EA), eV:	-8.99(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-chlorophenyl)-2-methoxyacetamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=N2)C3=C(C=CC(=C3)NC(=O)[C@H](C4=CC=C(C=C4)Cl)OC)Cl

DOS

IR

Vibrations