Geometry & MOs

Info

ID:

237284

PubChem CID:

92718086

Reduced:

ClO3N5H20C22 (1)

Stoich.:

AB3C5D20E22 (1)

Weight, g/mol:

459.085738

ΔHf, kcal/mol:

-49.24

Dipole, Da:

1.13

IP(EA), eV:

 -9.41(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-11-propyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N[C@H](C3=CC=CC=C3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations