Geometry & MOs

Info

ID:	28469
PubChem CID:	827785
Reduced:	NSO3C18H21 (1)
Stoich.:	ABC3D18E21 (1)
Weight, g/mol:	287.041628
ΔH_f, kcal/mol:	-109.3
Dipole, Da:	7.96
IP(EA), eV:	-9.45(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-(2-fluorophenyl)-11-oxa-7-thia-9-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one

Drug info:

PubChemData

Smile

CCC1=CC(=C(S1)NC(=O)C2=CC=C(C=C2)C(C)(C)C)C(=O)O

DOS

IR

Vibrations