Geometry & MOs

Info

ID:	79208
PubChem CID:	49747420
Reduced:	S2N3O5C19H21 (1)
Stoich.:	A2B3C5D19E21 (1)
Weight, g/mol:	435.074505
ΔH_f, kcal/mol:	-81.17
Dipole, Da:	4.04
IP(EA), eV:	-9.45(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]-1,3-benzothiazole-6-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C(C1)CCNC(=O)C2=NOC(=C2)C3=CC=CO3)S(=O)(=O)C4=CC=CS4

DOS

IR

Vibrations