Geometry & MOs

Info

ID:	73480
PubChem CID:	48417869
Reduced:	OSN2C9H11 (2)
Stoich.:	ABC2D9E11 (2)
Weight, g/mol:	368.130697
ΔH_f, kcal/mol:	-49.34
Dipole, Da:	4.75
IP(EA), eV:	-8.64(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-6-methoxypyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)CCN2CCSC2=O)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations