Geometry & MOs

Info

ID:	360148
PubChem CID:	127300728
Reduced:	SO3N6C16H20 (1)
Stoich.:	AB3C6D16E20 (1)
Weight, g/mol:	277.179027
ΔH_f, kcal/mol:	-24.34
Dipole, Da:	9.15
IP(EA), eV:	-8.76(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CCN1CCCC(C1)NC(=O)C2=CC3=C(C=C2)N4C(=NS3(=O)=O)N=CN4

DOS

IR

Vibrations