Geometry & MOs

Info

ID:

434816

PubChem CID:

135175758

Reduced:

N3O3F4H25C27 (1)

Stoich.:

A3B3C4D25E27 (1)

Weight, g/mol:

537.243913

ΔHf, kcal/mol:

-229.59

Dipole, Da:

3.72

IP(EA), eV:

 -8.81(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-(1-cyclobutylpyrazol-4-yl)-5-[[1-[2-fluoro-4-(2-fluoropropan-2-yloxy)phenyl]cyclopropanecarbonyl]amino]-3-methylbenzoate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CC(=C1)NC(=O)C2(CC2)C3=C(C=C(C=C3)C(F)(F)F)F)C4=CN(N=C4)CC5CCC5

DOS

IR

Vibrations