Geometry & MOs

Info

ID:

444660

PubChem CID:

135263160

Reduced:

SN3O4C31H39 (1)

Stoich.:

AB3C4D31E39 (1)

Weight, g/mol:

545.234828

ΔHf, kcal/mol:

-129.83

Dipole, Da:

4.5

IP(EA), eV:

 -8.59(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-(2,3-dioxothiomorpholin-4-yl)-2-methylphenyl]-N-[(5-methylfuran-2-yl)-(4-methyl-2-piperidin-1-ylphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C2=CC=C(O2)C)NC(=O)CC3=C(C=C(C=C3)N4CCS(=O)(=O)CC4)C)N5CCCCC5

DOS

IR

Vibrations