Geometry & MOs

Info

ID:

323199

PubChem CID:

126673510

Reduced:

SN3O4F5H20C24 (1)

Stoich.:

AB3C4D5E20F24 (1)

Weight, g/mol:

692.228026

ΔHf, kcal/mol:

-334.87

Dipole, Da:

4.44

IP(EA), eV:

 -8.84(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-[4-[[4-(3,4-dimethoxy-N-methylanilino)-5-(4-fluoro-3-methoxyphenyl)-1H-imidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]-N-methylanilino]propanoic acid

Drug info:

PubChemData

Smile

C1[C@H]([C@@H]([C@H](CN1)N2C3=C(C=C(C=C3)F)C4=C2C=CC(=C4)F)O)NS(=O)(=O)C5=CC=C(C=C5)OC(F)(F)F

DOS

IR

Vibrations