Geometry & MOs

Info

ID:

67954

PubChem CID:

46507502

Reduced:

F2O2S3N4H14C22 (1)

Stoich.:

A2B2C3D4E14F22 (1)

Weight, g/mol:

515.995145

ΔHf, kcal/mol:

-48.79

Dipole, Da:

6.75

IP(EA), eV:

 -8.8(-1.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-chloro-4-fluorophenyl)-2-[[6-oxo-5-(thiophen-2-ylmethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-4-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

C1=CC2=C(N=C1)SC3=C2N=C(N(C3=O)CC4=CC=CS4)SCC(=O)NC5=CC(=C(C=C5)F)F

DOS

IR

Vibrations