Geometry & MOs

Info

ID:

59640

PubChem CID:

24891306

Reduced:

FSO2N6C24H25 (1)

Stoich.:

ABC2D6E24F25 (1)

Weight, g/mol:

496.26857

ΔHf, kcal/mol:

-38.42

Dipole, Da:

3.11

IP(EA), eV:

 -9.03(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[(3aS,6S,6aS)-6-hydroxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-cyclobutylpiperazin-1-yl)benzamide

Drug info:

PubChemData

Smile

C1CN(CCC1NCC2=CC3=C(N=N2)SCC(=O)N3)CC4CN5C(=O)C=CC6=C5C4=C(C=C6)F

DOS

IR

Vibrations