Geometry & MOs

Info

ID:	242769
PubChem CID:	99206176
Reduced:	SO3N4C22H26 (1)
Stoich.:	AB3C4D22E26 (1)
Weight, g/mol:	426.172562
ΔH_f, kcal/mol:	-93.71
Dipole, Da:	6.41
IP(EA), eV:	-8.85(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[4-[(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)carbamoyl]phenyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1(CC2=C(C(=O)C1)SC(=N2)NC(=O)C3=CC=C(C=C3)N4CCC[C@@H](C4)C(=O)N)C

DOS

IR

Vibrations