Geometry & MOs

Info

ID:	185504
PubChem CID:	77307039
Reduced:	FNSO5H20C23 (1)
Stoich.:	ABCD5E20F23 (1)
Weight, g/mol:	125.047678
ΔH_f, kcal/mol:	-182.19
Dipole, Da:	7.55
IP(EA), eV:	-9.53(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,8-dihydrooxazocin-5-one

Drug info:

PubChemData

Smile

C1C(C1NS(=O)(=O)C2=CC3=C(C=C2)C4=C(C3)C=C(C=C4)F)C5=CC=CC=C5.C(=O)(O)O

DOS

IR

Vibrations