Geometry & MOs

Info

ID:

180841

PubChem CID:

76693619

Reduced:

ClN2F3O5H22C29 (1)

Stoich.:

AB2C3D5E22F29 (1)

Weight, g/mol:

483.25154

ΔHf, kcal/mol:

-293.37

Dipole, Da:

5.86

IP(EA), eV:

 -9.06(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,3,3-trimethyl-2-[5-methyl-2-oxo-3-[[2-sulfanyl-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoyl]amino]pyrrolidin-1-yl]butanamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1CC3=CC(=CC=C3)C4(C(=O)N(C(=O)O4)C)C)C=C(C=C2)OC(F)(F)F)C(=O)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations