Geometry & MOs

Info

ID:

444659

PubChem CID:

135263159

Reduced:

SN3O4C31H37 (1)

Stoich.:

AB3C4D31E37 (1)

Weight, g/mol:

549.266128

ΔHf, kcal/mol:

-118.39

Dipole, Da:

7.04

IP(EA), eV:

 -8.69(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-(1,1-dioxo-1,4-thiazinan-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=CC=C2)NC(=O)CC3=C(C=CC(=C3)N4CCS(=O)(=O)CC4)C)N5CCOCC5

DOS

IR

Vibrations