Geometry & MOs

Info

ID:

224487

PubChem CID:

85343951

Reduced:

SiN2Cl3O10C29H49 (1)

Stoich.:

AB2C3D10E29F49 (1)

Weight, g/mol:

723.296736

ΔHf, kcal/mol:

-528.77

Dipole, Da:

5.63

IP(EA), eV:

 -9.65(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[2-[[5-(3,5-difluorophenyl)-3-hydroxy-4-[[2-hydroxy-2-(2-phenylphenyl)acetyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]cyclohexane-1,3-dicarboxylic acid

Drug info:

PubChemData

Smile

CC1(OCC(O1)C(C2C(N=C(O2)C(Cl)(Cl)Cl)C(CC(C#N)(C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)OCOC)OCOC)C

DOS

IR

Vibrations