Geometry & MOs

Info

ID:

436479

PubChem CID:

135203640

Reduced:

N3O7H37C40 (1)

Stoich.:

A3B7C37D40 (1)

Weight, g/mol:

602.190081

ΔHf, kcal/mol:

-167.34

Dipole, Da:

4.02

IP(EA), eV:

 -8.72(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[1'-[2-[(4-fluorophenyl)methyl-(1,1,1-trifluoropropan-2-yl)amino]-2-oxoethyl]-3-hydroxy-2',5'-dioxospiro[2,3-dihydroindene-1,4'-imidazolidine]-5-yl]pyrazol-1-yl]acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=CC=C(C=C2)COC3=CC=CC(=C3)[C@H](C4=CC=CC=C4)NC(=O)O)CNC[C@@H](C5=C6C=CC(=O)NC6=C(C=C5)O)O

DOS

IR

Vibrations