Geometry & MOs

Info

ID:

434818

PubChem CID:

135175762

Reduced:

N3O3F4H27C28 (1)

Stoich.:

A3B3C4D27E28 (1)

Weight, g/mol:

536.153462

ΔHf, kcal/mol:

-243.31

Dipole, Da:

2.59

IP(EA), eV:

 -8.82(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[6-(difluoromethyl)pyridin-3-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)C(F)(F)F)F)C)C4=CN(N=C4)C5CCC5

DOS

IR

Vibrations