Geometry & MOs

Info

ID:	73507
PubChem CID:	48417967
Reduced:	SO2N4H20C22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	315.140533
ΔH_f, kcal/mol:	-5.27
Dipole, Da:	5.01
IP(EA), eV:	-8.74(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)C2=CC(=O)NC3=CC=CC=C32)C4=NC5=CC=CC=C5S4

DOS

IR

Vibrations