Geometry & MOs

Info

ID:

158515

PubChem CID:

56464117

Reduced:

SN4O6C24H26 (1)

Stoich.:

AB4C6D24E26 (1)

Weight, g/mol:

459.139882

ΔHf, kcal/mol:

-117.19

Dipole, Da:

10.36

IP(EA), eV:

 -9.1(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-2-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)methylsulfanyl]acetamide

Drug info:

PubChemData

Smile

CC(C)C(C1=NC(=NO1)C2CC2)NC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations