Geometry & MOs

Info

ID:	28576
PubChem CID:	828420
Reduced:	ClFON3C17H17 (1)
Stoich.:	ABCD3E17F17 (1)
Weight, g/mol:	311.098
ΔH_f, kcal/mol:	-42.28
Dipole, Da:	5.09
IP(EA), eV:	-8.82(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-phenylethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2F)C(=O)NC3=CC=C(C=C3)Cl

DOS

IR

Vibrations