Geometry & MOs

Info

ID:

163921

PubChem CID:

74380834

Reduced:

N2F4O8C21H26 (1)

Stoich.:

A2B4C8D21E26 (1)

Weight, g/mol:

526.173842

ΔHf, kcal/mol:

-506.17

Dipole, Da:

2.98

IP(EA), eV:

 -9.06(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-(1,3-difluoropropan-2-yl)-4-[(4-ethylphenyl)methyl]-5-(trifluoromethyl)pyrazol-3-yl]oxy-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C(=N1)OC2(C(C(C(C(O2)CO)O)O)O)O)CC3=CC(=C(C=C3)OC)F)C(F)(F)F

DOS

IR

Vibrations