Geometry & MOs

Info

ID:	73534
PubChem CID:	48418065
Reduced:	SN3O3C22H25 (1)
Stoich.:	AB3C3D22E25 (1)
Weight, g/mol:	358.092204
ΔH_f, kcal/mol:	-56.82
Dipole, Da:	1.48
IP(EA), eV:	-8.73(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)COCC(=O)NC2CCN(CC2)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations