Geometry & MOs

Info

ID:

378942

PubChem CID:

134228459

Reduced:

ClF3O3N7C27H33 (1)

Stoich.:

AB3C3D7E27F33 (1)

Weight, g/mol:

577.262437

ΔHf, kcal/mol:

-240.98

Dipole, Da:

7.24

IP(EA), eV:

 -8.63(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 5-[5-amino-4-carbamoyl-3-[1-[[3-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]pyrazol-1-yl]azocane-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC(CCC1)N2C(=C(C(=N2)C3=CN(N=C3)CC4=C(C=CC(=C4)C(F)(F)F)Cl)C(=O)N)N

DOS

IR

Vibrations