Geometry & MOs

Info

ID:

186649

PubChem CID:

77461611

Reduced:

FN3P4C16O22H30 (1)

Stoich.:

AB3C4D16E22F30 (1)

Weight, g/mol:

434.116602

ΔHf, kcal/mol:

-1235.76

Dipole, Da:

7.2

IP(EA), eV:

 -9.77(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoropyridin-3-yl)-4-methyl-1,4-dihydroimidazol-2-yl]-3-(trifluoromethyl)-3H-pyridin-2-one

Drug info:

PubChemData

Smile

CONC1=NC(=O)N(CC1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)F)O)O)O

DOS

IR

Vibrations