Geometry & MOs

Info

ID:	353056
PubChem CID:	127284206
Reduced:	ClSO2N3C19H24 (1)
Stoich.:	ABC2D3E19F24 (1)
Weight, g/mol:	329.173942
ΔH_f, kcal/mol:	-69.11
Dipole, Da:	4.11
IP(EA), eV:	-8.94(-0.72)
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)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide

Drug info:

PubChemData

Smile

C1CCN2CCC(C2C1)NC(=O)C3CSCN3C(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations