Geometry & MOs

Info

ID:

323286

PubChem CID:

126673988

Reduced:

S2F3O4N5C28H32 (1)

Stoich.:

A2B3C4D5E28F32 (1)

Weight, g/mol:

808.220575

ΔHf, kcal/mol:

-238.22

Dipole, Da:

9.16

IP(EA), eV:

 -9.23(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

diazanium;2-[3-[4-[[4-(3,4-dimethoxy-N-methylanilino)-5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-3,5-difluorophenoxy]propyl-(2-sulfonatoethyl)amino]ethanesulfonate

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=CN=C(C=C1)CNC(=O)C2=CC3=C(S2)C4(CCN(CC4C)C(C)C5=CN=C(N=C5)C(F)(F)F)OCC3

DOS

IR

Vibrations