Geometry & MOs

Info

ID:	70489
PubChem CID:	48413422
Reduced:	O2N3S3C17H19 (1)
Stoich.:	A2B3C3D17E19 (1)
Weight, g/mol:	405.129317
ΔH_f, kcal/mol:	-15.93
Dipole, Da:	6.19
IP(EA), eV:	-8.64(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-1,3,5-trimethylpyrazole-4-sulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)S(=O)(=O)NC2CCN(CC2)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations