Geometry & MOs

Info

ID:

231770

PubChem CID:

87574629

Reduced:

SO6C21H32 (1)

Stoich.:

AB6C21D32 (1)

Weight, g/mol:

1021.234588

ΔHf, kcal/mol:

-259.08

Dipole, Da:

5.5

IP(EA), eV:

 -9.08(0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-O-[5-[(5-cyano-4-phenyl-1,3-thiazol-2-yl)amino]-4,4-dimethyl-5-oxopentanoyl] 1-O-[5-[(5-cyano-4-phenyl-1,3-thiazol-2-yl)amino]-5-oxopentanoyl] 5-[(5-cyano-4-phenyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1,3-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)OS(=O)(=O)C1(CC1)C[C@@H](COCC2=CC=CC=C2)OC(=O)C(C)(C)C

DOS

IR

Vibrations