Geometry & MOs

Info

ID:

321304

PubChem CID:

126665748

Reduced:

F3N5O5C32H32 (1)

Stoich.:

A3B5C5D32E32 (1)

Weight, g/mol:

570.189018

ΔHf, kcal/mol:

-292.47

Dipole, Da:

10.43

IP(EA), eV:

 -9.21(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[[3-[5-[fluoro-(3-phenoxyphenyl)carbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)C(C2=CC(=CC=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)CNC(=O)OC(C)(C)C)C(F)(F)F)O

DOS

IR

Vibrations