Geometry & MOs

Info

ID:	360594
PubChem CID:	127301239
Reduced:	SN2O3C12H20 (1)
Stoich.:	AB2C3D12E20 (1)
Weight, g/mol:	356.176979
ΔH_f, kcal/mol:	-96.45
Dipole, Da:	9.08
IP(EA), eV:	-9.34(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-[cyclopropyl-(1,1-dioxothiolan-3-yl)amino]ethanone

Drug info:

PubChemData

Smile

C1CN(C1)C(=O)CN(C2CC2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations