Geometry & MOs

Info

ID:	61602
PubChem CID:	26710897
Reduced:	S2N4O4C19H20 (1)
Stoich.:	A2B4C4D19E20 (1)
Weight, g/mol:	486.085404
ΔH_f, kcal/mol:	-22.07
Dipole, Da:	6.2
IP(EA), eV:	-8.99(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C2=CC=C(S2)CNC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NCCOC

DOS

IR

Vibrations