Geometry & MOs

Info

ID:	423845
PubChem CID:	135120481
Reduced:	FSN3O4H20C21 (1)
Stoich.:	ABC3D4E20F21 (1)
Weight, g/mol:	304.178693
ΔH_f, kcal/mol:	-138.16
Dipole, Da:	5.15
IP(EA), eV:	-9.62(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine

Drug info:

PubChemData

Smile

C1[C@H]([C@H](CN1C(=O)C2=C(C=CC(=C2)S(=O)(=O)N)F)O)CC3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations