Geometry & MOs

Info

ID:	341425
PubChem CID:	127264118
Reduced:	SO2F3H9C11 (1)
Stoich.:	AB2C3D9E11 (1)
Weight, g/mol:	332.033014
ΔH_f, kcal/mol:	-220.09
Dipole, Da:	4.11
IP(EA), eV:	-9.2(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-oxo-2-[5-oxo-8-(trifluoromethyl)-3,4-dihydro-2H-1-benzothiepin-4-yl]acetate

Drug info:

PubChemData

Smile

C1CC(=O)C2=C(C=C(C=C2)OC(F)(F)F)SC1

DOS

IR

Vibrations