Geometry & MOs

Info

ID:	30068
PubChem CID:	839433
Reduced:	N2O4H18C19 (1)
Stoich.:	A2B4C18D19 (1)
Weight, g/mol:	308.061949
ΔH_f, kcal/mol:	-120.97
Dipole, Da:	8.86
IP(EA), eV:	-9.29(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1,3-benzothiazol-2-yl)-2-ethylisoindole-1,3-dione

Drug info:

PubChemData

Smile

CC(C)CC(=O)NC1=CC(=CC=C1)OC2=CC3=C(C=C2)C(=O)NC3=O

DOS

IR

Vibrations