Geometry & MOs

Info

ID:	121474
PubChem CID:	50769770
Reduced:	ClO3S3N4H15C17 (1)
Stoich.:	AB3C3D4E15F17 (1)
Weight, g/mol:	461.103183
ΔH_f, kcal/mol:	-41.46
Dipole, Da:	7.7
IP(EA), eV:	-9.49(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-fluorophenyl)methylsulfanyl]-5-(2-phenylpropyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-6-one

Drug info:

PubChemData

Smile

C1=CSC(=C1)S(=O)(=O)C2=CN=C(N=C2N)SCC(=O)NCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations