Geometry & MOs

Info

ID:

162727

PubChem CID:

57551965

Reduced:

ClN2O6C21H35 (1)

Stoich.:

AB2C6D21E35 (1)

Weight, g/mol:

539.256626

ΔHf, kcal/mol:

-309.63

Dipole, Da:

3.2

IP(EA), eV:

 -9.45(0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-[5-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H](C3C2C(CO3)(OC)OC)Cl

DOS

IR

Vibrations