Geometry & MOs

Info

ID:	121499
PubChem CID:	50770937
Reduced:	FO2S2N4H19C25 (1)
Stoich.:	AB2C2D4E19F25 (1)
Weight, g/mol:	450.118418
ΔH_f, kcal/mol:	-16.11
Dipole, Da:	3.15
IP(EA), eV:	-8.86(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-benzyl-6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-4-yl)sulfanyl]-N-cyclopentylacetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(C(=O)N2CC4=CC=C(C=C4)F)SC5=C3C=CC=N5

DOS

IR

Vibrations