Geometry & MOs

Info

ID:

170925

PubChem CID:

75302517

Reduced:

NOC14H20 (2)

Stoich.:

ABC14D20 (2)

Weight, g/mol:

831.177755

ΔHf, kcal/mol:

-78.32

Dipole, Da:

3.51

IP(EA), eV:

 -9.07(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-chloro-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide;2-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid;hydrochloride

Drug info:

PubChemData

Smile

CCCCCC=CCC=CCCCCCCCC(=O)NCC(=O)C1=CNC2=CC=CC=C21

DOS

IR

Vibrations