Geometry & MOs

Info

ID:	138846
PubChem CID:	52433917
Reduced:	ClN3O3C24H30 (1)
Stoich.:	AB3C3D24E30 (1)
Weight, g/mol:	408.069927
ΔH_f, kcal/mol:	-106.28
Dipole, Da:	1.86
IP(EA), eV:	-8.19(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]-2-methoxy-2-phenylacetamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)[C@H](C3=CC=C(C=C3)Cl)OC

DOS

IR

Vibrations