Geometry & MOs

Info

ID:	341426
PubChem CID:	127264119
Reduced:	SF3O4H11C14 (1)
Stoich.:	AB3C4D11E14 (1)
Weight, g/mol:	329.033349
ΔH_f, kcal/mol:	-279.77
Dipole, Da:	2.37
IP(EA), eV:	-9.41(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C(=O)C1CCSC2=C(C1=O)C=CC(=C2)C(F)(F)F

DOS

IR

Vibrations