Geometry & MOs

Info

ID:	61352
PubChem CID:	26708487
Reduced:	SO3N4C15H18 (1)
Stoich.:	AB3C4D15E18 (1)
Weight, g/mol:	444.128983
ΔH_f, kcal/mol:	-80.86
Dipole, Da:	8.42
IP(EA), eV:	-9.27(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-cyanophenyl)sulfonyl-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)NC(=O)OCC

DOS

IR

Vibrations