Geometry & MOs

Info

ID:

321308

PubChem CID:

126665753

Reduced:

O2F3N4H27C28 (1)

Stoich.:

A2B3C4D27E28 (1)

Weight, g/mol:

662.262852

ΔHf, kcal/mol:

-132.5

Dipole, Da:

4.06

IP(EA), eV:

 -9.2(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[[3-[5-[[5-[(4-cyanophenyl)-[cyclopropyl(methyl)amino]methyl]-2-fluorophenyl]carbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

CCCOC(C1=CC=CC=C1)C2=CC(=CC=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)CN)C(F)(F)F

DOS

IR

Vibrations