Geometry & MOs

Info

ID:	61527
PubChem CID:	26710256
Reduced:	SCl2N2O6C19H24 (1)
Stoich.:	AB2C2D6E19F24 (1)
Weight, g/mol:	483.113188
ΔH_f, kcal/mol:	-254.14
Dipole, Da:	2.98
IP(EA), eV:	-9.39(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1CCCN(C1)C(=O)C2=CC(=C(C=C2Cl)Cl)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations