Geometry & MOs

Info

ID:

136647

PubChem CID:

52078303

Reduced:

FS2N3O5C23H28 (1)

Stoich.:

AB2C3D5E23F28 (1)

Weight, g/mol:

506.175454

ΔHf, kcal/mol:

-213.77

Dipole, Da:

11.36

IP(EA), eV:

 -9.64(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2R)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-[(3S)-1,1-dioxothiolan-3-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=NN2[C@@H]3CCS(=O)(=O)C3)C(=O)N(CC4=CC=C(C=C4)F)[C@H]5CCS(=O)(=O)C5

DOS

IR

Vibrations