Geometry & MOs

Info

ID:

436559

PubChem CID:

135205306

Reduced:

F3N4O5C27H27 (1)

Stoich.:

A3B4C5D27E27 (1)

Weight, g/mol:

548.243498

ΔHf, kcal/mol:

-312.71

Dipole, Da:

6.04

IP(EA), eV:

 -9.04(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-amino-N-[3-[2-[1-cyclopropylethyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]cyclobutane-1-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)NC1=C(C2=C(C=C1)[C@]3(CC2)C(=O)NC(=O)O3)CC(=O)N(CC4=CC=CC=C4)C(C5CC5)C(F)(F)F

DOS

IR

Vibrations