Geometry & MOs

Info

ID:

186943

PubChem CID:

77507738

Reduced:

SF2N2O5C27H28 (1)

Stoich.:

AB2C2D5E27F28 (1)

Weight, g/mol:

528.331171

ΔHf, kcal/mol:

-251.07

Dipole, Da:

7.5

IP(EA), eV:

 -9.05(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(6-ethoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)-4,4-dimethyl-1-oxopentan-2-yl]-4-(4-propylpiperazin-1-yl)benzamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)OC)N(C)S(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)NC(=O)CC3=CC(=CC(=C3)F)F

DOS

IR

Vibrations