Geometry & MOs

Info

ID:	73530
PubChem CID:	48418060
Reduced:	SO3N5C20H21 (1)
Stoich.:	AB3C5D20E21 (1)
Weight, g/mol:	356.130697
ΔH_f, kcal/mol:	11.59
Dipole, Da:	6.3
IP(EA), eV:	-8.57(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CNC1=C(C=C(C=C1)C(=O)NC2CCN(CC2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

DOS

IR

Vibrations