Geometry & MOs

Info

ID:

444612

PubChem CID:

135263023

Reduced:

ClNSO4H24C25 (1)

Stoich.:

ABCD4E24F25 (1)

Weight, g/mol:

591.276693

ΔHf, kcal/mol:

-98.78

Dipole, Da:

3.21

IP(EA), eV:

 -9.22(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(5-methylfuran-2-yl)-(4-methyl-2-piperidin-1-ylphenyl)methyl]-2-[1-(oxan-4-ylmethyl)-2,2-dioxo-3H-2,1-benzothiazol-5-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C2=CC=C(O2)Cl)NC(=O)C3(CC3)C4=CC5=C(CS(=O)(=O)C5)C=C4)C

DOS

IR

Vibrations