Geometry & MOs

Info

ID:

444593

PubChem CID:

135262953

Reduced:

SN2O5C29H34 (1)

Stoich.:

AB2C5D29E34 (1)

Weight, g/mol:

565.261043

ΔHf, kcal/mol:

-131.15

Dipole, Da:

10.88

IP(EA), eV:

 -8.47(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-4-(hydroxymethyl)phenyl]-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)C3(CC3)C4=CC(=C(C=C4)OC)N5CCS(=O)(=O)CC5)C

DOS

IR

Vibrations