Geometry & MOs

Info

ID:

437365

PubChem CID:

135226174

Reduced:

ClF2O3N5C38H50 (1)

Stoich.:

AB2C3D5E38F50 (1)

Weight, g/mol:

530.09393

ΔHf, kcal/mol:

-138.69

Dipole, Da:

7.76

IP(EA), eV:

 -8.42(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]azetidin-1-yl] 2-(3-carbamoyl-3a,6a-dihydropyrazolo[4,3-d][1,3]thiazol-1-yl)acetate

Drug info:

PubChemData

Smile

CC(=O)C1=NN2CC(=O)N3C[C@@H](C[C@H]3C(=O)NCC4=C(C(=CC(=C4)CCCCCCCCCCCNCCCCC5=CC1=C2C=C5)Cl)F)F

DOS

IR

Vibrations