Geometry & MOs

Info

ID:

189274

PubChem CID:

77836341

Reduced:

SiO5C26H46 (1)

Stoich.:

AB5C26D46 (1)

Weight, g/mol:

725.231983

ΔHf, kcal/mol:

-315.21

Dipole, Da:

3.05

IP(EA), eV:

 -9.38(0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[[3-[[4-[[(3-butyl-6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazin-7-yl)sulfonylamino]methyl]phenyl]methoxy]-1-ethoxy-1-oxopropan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCC[Si](C)(C)OC1CCC(C2C1(C3(C(=O)CC(OC3(CC2O)C)(C)C=C)O)C)(C)C

DOS

IR

Vibrations