Geometry & MOs

Info

ID:

188088

PubChem CID:

77667848

Reduced:

ClO5N9C27H36 (1)

Stoich.:

AB5C9D27E36 (1)

Weight, g/mol:

573.14745

ΔHf, kcal/mol:

-128.78

Dipole, Da:

3.32

IP(EA), eV:

 -8.74(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2,5-dimethylcyclohexyl) 2-[4-(3-bromo-4-methoxyphenoxy)-3,5-dimethylphenyl]-3,5-dioxo-1,2,4-triazinane-6-carboxylate

Drug info:

PubChemData

Smile

CC(C)N1CCN(CC1)C(=O)COC2=C(C=C(C=C2)Cl)CNC3=C4C(=NC=N3)N(C=N4)C5C(C(C(O5)C(=O)NC)N)O

DOS

IR

Vibrations