Geometry & MOs

Info

ID:

321237

PubChem CID:

126665574

Reduced:

BrO2F3N5H27C29 (1)

Stoich.:

AB2C3D5E27F29 (1)

Weight, g/mol:

708.304716

ΔHf, kcal/mol:

-107.43

Dipole, Da:

2.77

IP(EA), eV:

 -9.22(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[[3-[5-[[5-[3-cyclopropyl-1-(propanoylamino)-1-pyridin-3-ylpropyl]-2-fluorophenyl]carbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

C1CC1CNC(C2=CC(=CC=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)CN)C(F)(F)F)C5=CC(=C(C=C5)O)Br

DOS

IR

Vibrations