Geometry & MOs

Info

ID:	37918
PubChem CID:	8025548
Reduced:	SN2F3O3C18H21 (1)
Stoich.:	AB2C3D3E18F21 (1)
Weight, g/mol:	346.044585
ΔH_f, kcal/mol:	-231.65
Dipole, Da:	4.97
IP(EA), eV:	-8.96(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)methyl 5-methylthiophene-2-carboxylate

Drug info:

PubChemData

Smile

C1CCN(CC1)[C@H](CNS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C3=CC=CO3

DOS

IR

Vibrations