Geometry & MOs

Info

ID:

321351

PubChem CID:

126665850

Reduced:

OF3N6H23C28 (1)

Stoich.:

AB3C6D23E28 (1)

Weight, g/mol:

626.228695

ΔHf, kcal/mol:

-16.29

Dipole, Da:

2.96

IP(EA), eV:

 -9.34(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[[3-[5-[[3-[[cyclopropyl(methyl)amino]-(1,3-thiazol-2-yl)methyl]phenyl]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)C#N)C(F)(F)F)C5=CN=CC=C5

DOS

IR

Vibrations