Geometry & MOs

Info

ID:	33295
PubChem CID:	7885868
Reduced:	FN2S2O3H19C20 (1)
Stoich.:	AB2C2D3E19F20 (1)
Weight, g/mol:	407.166748
ΔH_f, kcal/mol:	-96.32
Dipole, Da:	5.62
IP(EA), eV:	-8.54(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)C3=C(C=CC(=C3)F)OC)CC=C)C

DOS

IR

Vibrations