Geometry & MOs

Info

ID:	73477
PubChem CID:	48417848
Reduced:	SO3N4H20C21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	409.182398
ΔH_f, kcal/mol:	-49.43
Dipole, Da:	1.55
IP(EA), eV:	-8.68(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-3-(2-ethoxyphenyl)propanamide

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)C2=CC3=C(C=C2)NC(=O)CO3)C4=NC5=CC=CC=C5S4

DOS

IR

Vibrations