Geometry & MOs

Info

ID:	349005
PubChem CID:	127274731
Reduced:	SN3O3C20H33 (1)
Stoich.:	AB3C3D20E33 (1)
Weight, g/mol:	395.177982
ΔH_f, kcal/mol:	-157.63
Dipole, Da:	3.79
IP(EA), eV:	-9.32(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzothiazol-2-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCC(=O)N1CSCC1C(=O)N2CCN(CC2)C(=O)CCC3CCCC3

DOS

IR

Vibrations