Geometry & MOs

Info

ID:	225880
PubChem CID:	87235919
Reduced:	NO5C21H27 (1)
Stoich.:	AB5C21D27 (1)
Weight, g/mol:	432.092597
ΔH_f, kcal/mol:	-193.46
Dipole, Da:	11.03
IP(EA), eV:	-9.56(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-6-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-ylidene)-4-(pentylamino)thieno[3,2-b]pyridine-5,7-dione

Drug info:

PubChemData

Smile

C1C[C@@H](N(C(=O)C1)C/C=C/COCC(=O)O)CCC(=O)CC2=CC=CC=C2

DOS

IR

Vibrations