Geometry & MOs

Info

ID:

444597

PubChem CID:

135262983

Reduced:

ClSN4O4C23H25 (1)

Stoich.:

ABC4D4E23F25 (1)

Weight, g/mol:

579.276693

ΔHf, kcal/mol:

-98.74

Dipole, Da:

3.09

IP(EA), eV:

 -9.09(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-4-(methoxymethyl)phenyl]-N-[(5-methylfuran-2-yl)-(4-methyl-2-piperidin-1-ylphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C(C2=C(C=C(C=C2)Cl)C)NC(=O)CC3=CN=C(N=C3)N4CCS(=O)(=O)CC4

DOS

IR

Vibrations