Geometry & MOs

Info

ID:	73497
PubChem CID:	48417924
Reduced:	OS2N3C21H23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	403.116604
ΔH_f, kcal/mol:	10.75
Dipole, Da:	4.17
IP(EA), eV:	-8.73(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-4-(difluoromethoxy)benzamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1SCC(=O)NC2CCN(CC2)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations