Geometry & MOs

Info

ID:

133573

PubChem CID:

51555726

Reduced:

ClFN3O5H18C23 (1)

Stoich.:

ABC3D5E18F23 (1)

Weight, g/mol:

436.172225

ΔHf, kcal/mol:

-179.35

Dipole, Da:

3.48

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.777985

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1R)-1-cyclopropylethyl]-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)[C@@H]3[C@H](N[C@]4([C@@H]3C2=O)C5=C(C=CC(=C5)F)NC4=O)CCC(=O)[O-])Cl

DOS

IR

Vibrations