Geometry & MOs

Info

ID:

230422

PubChem CID:

87570866

Reduced:

NO5C20H29 (1)

Stoich.:

AB5C20D29 (1)

Weight, g/mol:

546.202502

ΔHf, kcal/mol:

-187.6

Dipole, Da:

8.28

IP(EA), eV:

 -8.87(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3S,4S,5R,6R)-6-[4-[(2,6-difluoro-4-methoxyphenyl)methyl]-5-methyl-1-propan-2-ylpyrazol-3-yl]oxy-3,4,5,6-tetrahydroxyoxan-2-yl]methyl ethyl carbonate

Drug info:

PubChemData

Smile

CC1C(COC(O1)(C)C(=O)O)CCCCO/N=C(\C)/C2=CC=C(C=C2)C

DOS

IR

Vibrations