Geometry & MOs

Info

ID:	57661
PubChem CID:	22431043
Reduced:	ClN2O3H19C20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	394.109962
ΔH_f, kcal/mol:	-96.6
Dipole, Da:	5.86
IP(EA), eV:	-9.13(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-methoxy-1,3-benzothiazol-2-yl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CNC(=O)CC2=C(NC3=C2C=C(C=C3)Cl)C(=O)O

DOS

IR

Vibrations