Geometry & MOs

Info

ID:	135877
PubChem CID:	51952109
Reduced:	O2N6C13H18 (1)
Stoich.:	A2B6C13D18 (1)
Weight, g/mol:	428.157878
ΔH_f, kcal/mol:	-0.14
Dipole, Da:	3.03
IP(EA), eV:	-9.7(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[4-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]-4-(2-sulfanylidene-1H-imidazol-3-yl)benzamide

Drug info:

PubChemData

Smile

C[C@@H](C(C)C)NC(=O)CN1C(=O)C=CC(=N1)N2C=NC=N2

DOS

IR

Vibrations