Geometry & MOs

Info

ID:	135949
PubChem CID:	51958126
Reduced:	NSO3C21H27 (1)
Stoich.:	ABC3D21E27 (1)
Weight, g/mol:	384.125612
ΔH_f, kcal/mol:	-111.79
Dipole, Da:	4.52
IP(EA), eV:	-9.83(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-(1,3-benzothiazol-2-yl)-N'-(2-methylfuran-3-carbonyl)piperidine-3-carbohydrazide

Drug info:

PubChemData

Smile

C[C@@H](CCC(C)C)NC(=O)C1=CC=CC(=C1)CS(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations