Geometry & MOs

Info

ID:

214695

PubChem CID:

85083424

Reduced:

SiO8C31H50 (1)

Stoich.:

AB8C31D50 (1)

Weight, g/mol:

578.175454

ΔHf, kcal/mol:

-420.37

Dipole, Da:

5.48

IP(EA), eV:

 -9.02(0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[(4-chloro-2,5-dimethylphenyl)sulfonyl-methylamino]phenyl]-N-(1-oxo-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-2-yl)prop-2-ynamide

Drug info:

PubChemData

Smile

CC1C2=CCC3(C(C2(CCC14OCCO4)C)CC(=C(C3CC(=O)OC)C(=O)OC)O[Si](C)(C)C(C)(C)C)COC

DOS

IR

Vibrations