Geometry & MOs

Info

ID:

323207

PubChem CID:

126673637

Reduced:

NSO3H13C15 (1)

Stoich.:

ABC3D13E15 (1)

Weight, g/mol:

798.254635

ΔHf, kcal/mol:

-35.53

Dipole, Da:

3.75

IP(EA), eV:

 -8.98(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4-[[4-(3,4-dimethoxy-N-methylanilino)-5-(4-fluoro-3-methoxyphenyl)-1H-imidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]benzamide

Drug info:

PubChemData

Smile

C=CCN1C2=CC=CC=C2OC3=CC=CC=C3S1(=O)=O

DOS

IR

Vibrations