Geometry & MOs

Info

ID:	46115
PubChem CID:	10522082
Reduced:	PS2O3C16H19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	354.215472
ΔH_f, kcal/mol:	-104.83
Dipole, Da:	1.72
IP(EA), eV:	-8.26(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3S,6S,8aS)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylate

Drug info:

PubChemData

Smile

CCOP(=O)(C(=C1SCCS1)C#CC2=CC=CC=C2)OCC

DOS

IR

Vibrations