Geometry & MOs

Info

ID:	27236
PubChem CID:	819820
Reduced:	N3O4C17H23 (1)
Stoich.:	A3B4C17D23 (1)
Weight, g/mol:	223.992345
ΔH_f, kcal/mol:	-138.29
Dipole, Da:	5.87
IP(EA), eV:	-8.78(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(chloromethyl)-3H-imidazo[4,5-e][2,1,3]benzothiadiazole

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=NNC(=O)CC(=O)NC2CCCCC2)O

DOS

IR

Vibrations