Geometry & MOs

Info

ID:

321242

PubChem CID:

126665582

Reduced:

ClF3O3N5H39C42 (1)

Stoich.:

AB3C3D5E39F42 (1)

Weight, g/mol:

652.278502

ΔHf, kcal/mol:

-147.22

Dipole, Da:

1.54

IP(EA), eV:

 -8.4(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1=CC(=CC=C1)N2C(=CC(=N2)C(F)(F)F)C(=O)NC3=CC=CC(=C3)C(C4=C5C=CC=CC5=C(C6=CC=CC=C64)Cl)NCC7CC7

DOS

IR

Vibrations