Geometry & MOs

Info

ID:

436576

PubChem CID:

135205586

Reduced:

F4N4O5H26C29 (1)

Stoich.:

A4B4C5D26E29 (1)

Weight, g/mol:

572.224655

ΔHf, kcal/mol:

-326.84

Dipole, Da:

4.28

IP(EA), eV:

 -9.39(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1S)-1-cyclopropylethyl]-2-[(5R)-6'-(ethylcarbamoylamino)-2',4-dioxospiro[1,3-oxazolidine-5,3'-1H-indene]-3-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

C[C@@H](C(F)(F)F)N(CC1=CC=C(C=C1)F)C(=O)CN2C[C@]3(CCC4C3=CC=C(C4=O)NC(=O)C5=CC=CC=N5)OC2=O

DOS

IR

Vibrations