Geometry & MOs

Info

ID:

169924

PubChem CID:

75168270

Reduced:

FN6H23C30 (1)

Stoich.:

AB6C23D30 (1)

Weight, g/mol:

530.194754

ΔHf, kcal/mol:

131.83

Dipole, Da:

5.8

IP(EA), eV:

 -8.6(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

but-2-enedioic acid;2-[(6-tert-butyl-2-oxo-4aH-quinolin-4-yl)methylamino]-N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)acetamide

Drug info:

PubChemData

Smile

C1C(NC(C2=C1C3=CC=CC=C3N2)(C4=CC=CC=C4)C5=CN=CC=C5)C6=NC(=NN6)C7=CC=C(C=C7)F

DOS

IR

Vibrations