Geometry & MOs

Info

ID:	242768
PubChem CID:	99206172
Reduced:	OSN6H20C22 (1)
Stoich.:	ABC6D20E22 (1)
Weight, g/mol:	426.172562
ΔH_f, kcal/mol:	118.18
Dipole, Da:	5.29
IP(EA), eV:	-9.16(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)NNC(=O)CSCC4=CN=CC=C4

DOS

IR

Vibrations