Geometry & MOs

Info

ID:	155813
PubChem CID:	56367656
Reduced:	S2N3O4C24H27 (1)
Stoich.:	A2B3C4D24E27 (1)
Weight, g/mol:	471.128649
ΔH_f, kcal/mol:	-93.76
Dipole, Da:	6.68
IP(EA), eV:	-9.33(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-piperidin-1-ylsulfonylphenyl)methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)COC2=CC=CC(=C2)C(=O)NCC3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

DOS

IR

Vibrations