Geometry & MOs

Info

ID:

184350

PubChem CID:

77149868

Reduced:

SF3N3O3C25H36 (1)

Stoich.:

AB3C3D3E25F36 (1)

Weight, g/mol:

662.287113

ΔHf, kcal/mol:

-275.13

Dipole, Da:

3.83

IP(EA), eV:

 -9.4(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-[3-chloro-4-(isoquinoline-1-carbonylamino)phenyl]-1-(2,6-dimethylmorpholin-4-yl)-2-oxo-1-pyrrolidin-1-ylpropoxy]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)CC(C(=O)N(CC1CC1)C2CCC3C2CN(C3)S(=O)(=O)C4=CC=C(C=C4)C(F)(F)F)N

DOS

IR

Vibrations