Geometry & MOs

Info

ID:

449784

PubChem CID:

135301440

Reduced:

ClO2N7C26H32 (1)

Stoich.:

AB2C7D26E32 (1)

Weight, g/mol:

575.2268

ΔHf, kcal/mol:

1.84

Dipole, Da:

4.47

IP(EA), eV:

 -8.9(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (1S,3R,4S)-3-[5-amino-4-carbamoyl-3-[1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazol-1-yl]-7-azatricyclo[3.3.0.01,4]octane-7-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC(CCC1)N2C(=C(C(=N2)C3=CN(N=C3)CC4=CC=CC=C4Cl)C#N)N

DOS

IR

Vibrations