Geometry & MOs

Info

ID:

321247

PubChem CID:

126665592

Reduced:

O2F4N4H12C19 (1)

Stoich.:

A2B4C4D12E19 (1)

Weight, g/mol:

699.267997

ΔHf, kcal/mol:

-158.05

Dipole, Da:

5.08

IP(EA), eV:

 -9.89(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[[3-[5-[[2-fluoro-5-[hydroxy-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]phenyl]carbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)N2C(=CC(=N2)C(F)(F)F)C(=O)NC3=C(C=CC=C3F)CO)C#N

DOS

IR

Vibrations