Geometry & MOs

Info

ID:	30069
PubChem CID:	839441
Reduced:	SN2O2H12C17 (1)
Stoich.:	AB2C2D12E17 (1)
Weight, g/mol:	326.04582
ΔH_f, kcal/mol:	-1.53
Dipole, Da:	3.15
IP(EA), eV:	-9.37(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-chloro-1,3-benzoxazol-2-yl)-2-ethylisoindole-1,3-dione

Drug info:

PubChemData

Smile

CCN1C(=O)C2=C(C1=O)C=C(C=C2)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations