Geometry & MOs

Info

ID:

121498

PubChem CID:

50770936

Reduced:

ClO2S2N4H21C22 (1)

Stoich.:

AB2C2D4E21F22 (1)

Weight, g/mol:

490.093346

ΔHf, kcal/mol:

-24.42

Dipole, Da:

6.4

IP(EA), eV:

 -8.74(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-benzyl-2-[[5-[(4-fluorophenyl)methyl]-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]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CSC1=NC2=C(C(=O)N1CC3=CC=CC=C3Cl)SC4=C2C=CC=N4

DOS

IR

Vibrations