Geometry & MOs

Info

ID:	62768
PubChem CID:	26736677
Reduced:	SO3N4C25H30 (1)
Stoich.:	AB3C4D25E30 (1)
Weight, g/mol:	398.13608
ΔH_f, kcal/mol:	-69.57
Dipole, Da:	7.65
IP(EA), eV:	-8.86(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(1-benzylpiperidin-1-ium-4-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=NS(=O)(=O)C3=C(N2CC1)C=CC(=C3)C(=O)NC4CCN(CC4)CC5=CC=CC=C5

DOS

IR

Vibrations