Geometry & MOs

Info

ID:

327376

PubChem CID:

126689719

Reduced:

F3O3N4H23C28 (1)

Stoich.:

A3B3C4D23E28 (1)

Weight, g/mol:

709.308719

ΔHf, kcal/mol:

-141.4

Dipole, Da:

3.32

IP(EA), eV:

 -8.93(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-(2-hydroxyethyl)-N-[[3-[[2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]phenyl]-phenylmethyl]carbamate

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)C(C2=CC(=CC=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)C#N)C(F)(F)F)O

DOS

IR

Vibrations