Geometry & MOs

Info

ID:	135950
PubChem CID:	51958183
Reduced:	SO3N4C19H20 (1)
Stoich.:	AB3C4D19E20 (1)
Weight, g/mol:	384.125612
ΔH_f, kcal/mol:	-38.86
Dipole, Da:	2.83
IP(EA), eV:	-8.56(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CO1)C(=O)NNC(=O)[C@@H]2CCCN(C2)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations