Geometry & MOs

Info

ID:	33307
PubChem CID:	7885890
Reduced:	FN2O2S2C19H19 (1)
Stoich.:	AB2C2D2E19F19 (1)
Weight, g/mol:	359.049526
ΔH_f, kcal/mol:	-65.1
Dipole, Da:	3.74
IP(EA), eV:	-8.52(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=C(C=CC(=C3)F)OC)CC=C)C

DOS

IR

Vibrations