Geometry & MOs

Info

ID:

144276

PubChem CID:

53341177

Reduced:

SF3N4O4H21C25 (1)

Stoich.:

AB3C4D4E21F25 (1)

Weight, g/mol:

664.172716

ΔHf, kcal/mol:

-189.72

Dipole, Da:

6.54

IP(EA), eV:

 -9.12(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[[3-[4-(2-aminopyridin-4-yl)-1-ethylpyrazol-3-yl]-N-(2,5-difluorophenyl)sulfonyl-2,4-difluoroanilino]methoxycarbonyl-methylamino]acetate

Drug info:

PubChemData

Smile

CCN1C=C(C(=N1)C2=C(C(=CC=C2)N(C(=O)OCC)S(=O)(=O)C3=C(C=CC(=C3)F)F)F)C4=CC=NC=C4

DOS

IR

Vibrations