Geometry & MOs

Info

ID:	341427
PubChem CID:	127264120
Reduced:	NSF3O3H10C14 (1)
Stoich.:	ABC3D3E10F14 (1)
Weight, g/mol:	315.017699
ΔH_f, kcal/mol:	-194.12
Dipole, Da:	3.1
IP(EA), eV:	-9.2(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(trifluoromethyl)-4,5-dihydro-[1]benzothiepino[4,5-d][1,2]oxazole-3-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)C1=NOC2=C1CCSC3=C2C=CC(=C3)C(F)(F)F

DOS

IR

Vibrations