Geometry & MOs

Info

ID:

434817

PubChem CID:

135175761

Reduced:

F2N3O4C30H33 (1)

Stoich.:

A2B3C4D30E33 (1)

Weight, g/mol:

529.198854

ΔHf, kcal/mol:

-194.3

Dipole, Da:

2.87

IP(EA), eV:

 -8.65(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=CC(=C1)NC(=O)C2(CC2)C3=C(C=C(C=C3)OC(C)(C)F)F)C)C4=CN(N=C4)C5CCC5

DOS

IR

Vibrations