Geometry & MOs

Info

ID:	61811
PubChem CID:	26713307
Reduced:	SN2O4H20C23 (1)
Stoich.:	AB2C4D20E23 (1)
Weight, g/mol:	483.165034
ΔH_f, kcal/mol:	-73.82
Dipole, Da:	5.54
IP(EA), eV:	-9.13(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4

DOS

IR

Vibrations