Geometry & MOs

Info

ID:	58842
PubChem CID:	24714939
Reduced:	FSN2O2H17C18 (1)
Stoich.:	ABC2D2E17F18 (1)
Weight, g/mol:	263.109233
ΔH_f, kcal/mol:	-68.57
Dipole, Da:	2.34
IP(EA), eV:	-8.35(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-(propylaminomethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N(C(=O)C23NCCS3)CC4=CC=CC=C4F

DOS

IR

Vibrations