Geometry & MOs

Info

ID:

128099

PubChem CID:

51031162

Reduced:

F3N3O3C31H32 (1)

Stoich.:

A3B3C3D31E32 (1)

Weight, g/mol:

549.069211

ΔHf, kcal/mol:

-220.23

Dipole, Da:

7.04

IP(EA), eV:

 -9.16(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R)-1-[1-(2-chloro-4-fluorophenyl)cyclopropanecarbonyl]-4-(2-chlorophenyl)sulfonyl-N-(1-cyanocyclopropyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)CC2=CC=CC=C2)C(=O)NC3=CC=CC=C3C(=N[C@@H](CCCC(F)(F)F)C(=O)O)C4=CC=CC=C4

DOS

IR

Vibrations