Geometry & MOs

Info

ID:

326771

PubChem CID:

126688175

Reduced:

ClOF3N5H23C29 (1)

Stoich.:

ABC3D5E23F29 (1)

Weight, g/mol:

653.238052

ΔHf, kcal/mol:

-35.77

Dipole, Da:

3.93

IP(EA), eV:

 -9.3(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[[3-[5-[[3-[(2-chlorophenyl)-(cyclopropylmethylamino)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=CC=CC=C5Cl

DOS

IR

Vibrations