Geometry & MOs

Info

ID:	68140
PubChem CID:	46507825
Reduced:	SO2N3C12H13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	425.157326
ΔH_f, kcal/mol:	-31.75
Dipole, Da:	8.28
IP(EA), eV:	-8.6(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-fluorophenyl)-11-(hydroxymethyl)-14-methylspiro[2-oxa-4,6,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),11,13-tetraene-5,1'-cyclohexane]-7-thione

Drug info:

PubChemData

Smile

CCOC(=O)CC1=CC(=S)NC2=C(N1)C=CC=N2

DOS

IR

Vibrations