Geometry & MOs

Info

ID:

314668

PubChem CID:

126622618

Reduced:

BrFSN5O6C24H25 (1)

Stoich.:

ABCD5E6F24G25 (1)

Weight, g/mol:

527.14234

ΔHf, kcal/mol:

-200.89

Dipole, Da:

5.37

IP(EA), eV:

 -9.16(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R)-N-[2-(3-carbamoyl-5-methoxyphenyl)acetyl]-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=NN(C2=C1C=CC(=C2)OC3CS(C3)(O)O)CC(=O)N4C[C@@H](C[C@H]4C(=O)NC5=NC(=CC=C5)Br)F

DOS

IR

Vibrations