Geometry & MOs

Info

ID:

228854

PubChem CID:

87565974

Reduced:

S5O12N14C32H32 (1)

Stoich.:

A5B12C14D32E32 (1)

Weight, g/mol:

629.116759

ΔHf, kcal/mol:

-161.14

Dipole, Da:

10.23

IP(EA), eV:

 -9.16(-1.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]pyridin-2-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)O.C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OCC(=O)O)/C3=CSC(=N3)N)SC1)C(=O)O

DOS

IR

Vibrations