Geometry & MOs

Info

ID:

82762

PubChem CID:

49856479

Reduced:

ClF2O3N7H18C21 (1)

Stoich.:

AB2C3D7E18F21 (1)

Weight, g/mol:

630.209005

ΔHf, kcal/mol:

-83.82

Dipole, Da:

8.77

IP(EA), eV:

 -8.59(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-2-[[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[6-(trifluoromethyl)pyridin-3-yl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)C2=NN(C=C2NC(=O)C3=C4N=CC=CN4N=C3)CC(=O)NCC(F)F

DOS

IR

Vibrations