Geometry & MOs

Info

ID:

158242

PubChem CID:

56463220

Reduced:

ClFSN3O4H19C22 (1)

Stoich.:

ABCD3E4F19G22 (1)

Weight, g/mol:

460.211741

ΔHf, kcal/mol:

-162.25

Dipole, Da:

3.74

IP(EA), eV:

 -8.8(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C)NC(=O)C2=CC(=C(C=C2)Cl)NS(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations