Geometry & MOs

Info

ID:	37865
PubChem CID:	8025186
Reduced:	O3N4C15H25 (1)
Stoich.:	A3B4C15D25 (1)
Weight, g/mol:	355.122872
ΔH_f, kcal/mol:	-137.5
Dipole, Da:	14.4
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.784326
Charge, e:	1

Chem-info

IUPAC name:

N-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)-5-methyl-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CCCN1C(=C(C(=O)NC1=O)C(=O)C[NH+]2CCC(CC2)C)N

DOS

IR

Vibrations