Geometry & MOs

Info

ID:	73519
PubChem CID:	48418030
Reduced:	SO3N4H18C19 (1)
Stoich.:	AB3C4D18E19 (1)
Weight, g/mol:	415.102434
ΔH_f, kcal/mol:	24.66
Dipole, Da:	5.23
IP(EA), eV:	-8.64(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)C2=CC=CC=C2[N+](=O)[O-])C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations