Geometry & MOs

Info

ID:

322934

PubChem CID:

126671607

Reduced:

FSN4O4C28H39 (1)

Stoich.:

ABC4D4E28F39 (1)

Weight, g/mol:

516.277027

ΔHf, kcal/mol:

-225.01

Dipole, Da:

3.37

IP(EA), eV:

 -9.34(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-hydroxy-2-[hydroxy-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylamino]methyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C2=CC=C(C=C2)C(CF)NC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)C(C)(C)C)O

DOS

IR

Vibrations