Geometry & MOs

Info

ID:

84131

PubChem CID:

49864435

Reduced:

ClFO3N4H26C27 (1)

Stoich.:

ABC3D4E26F27 (1)

Weight, g/mol:

550.124168

ΔHf, kcal/mol:

-91.62

Dipole, Da:

5.7

IP(EA), eV:

 -8.95(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,4R)-4-N-(4-chlorophenyl)-3-N-[2-fluoro-4-(2-oxopyridin-1-yl)phenyl]-1-(thiophen-2-ylmethyl)pyrrolidine-3,4-dicarboxamide

Drug info:

PubChemData

Smile

C1CC1CN2C[C@@H]([C@H](C2)C(=O)NC3=C(C=C(C=C3)N4C=CC=CC4=O)F)C(=O)NC5=CC=C(C=C5)Cl

DOS

IR

Vibrations