Geometry & MOs

Info

ID:

82655

PubChem CID:

49856290

Reduced:

F2N3O5H29C34 (1)

Stoich.:

A2B3C5D29E34 (1)

Weight, g/mol:

617.17737

ΔHf, kcal/mol:

-163.56

Dipole, Da:

3.2

IP(EA), eV:

 -9.48(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-2-[[(2R)-3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-5-oxo-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)C2=C(C(=O)N([C@@H]2C3=CC=C(C=C3)C(C)(F)F)C4=NN=C(C=C4)C)O[C@@H](C5=CC=CC=C5)C(=O)OC

DOS

IR

Vibrations