Geometry & MOs

Info

ID:

434821

PubChem CID:

135175781

Reduced:

N2F4O4H20C25 (1)

Stoich.:

A2B4C4D20E25 (1)

Weight, g/mol:

533.173782

ΔHf, kcal/mol:

-291.26

Dipole, Da:

10.2

IP(EA), eV:

 -9.41(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-fluoro-5-[[1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzoate

Drug info:

PubChemData

Smile

CC(C1=NC=C(C=C1)C2=C(C=C(C=C2)NC(=O)C3(CC3)C4=C(C=C(C=C4)C(F)(F)F)F)C(=O)O)O

DOS

IR

Vibrations